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BMS-795311

CAT: 0013-GTR19191553-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191553-02Size:50 mg
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Description
BMS-795311
CAS Number
939390-99-5
Field of Research
Metabolism Research
Smiles
[C@@] (CC1=CC=CC=C1) (NC (=O) C2=CC (C (F) (F) F) =C (F) C=C2) (C3=CC (OC4CC4) =C (F) C=C3) C5=CC (OC (C (F) F) (F) F) =CC (F) =C5
Molecular Formula
C33H23F10NO3
Molecular Weight
671.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[(1R)-1-(3-cyclopropyloxy-4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CAS Number939390-99-5
PubChem CID23582473
IUPAC NameN-[(1R)-1-(3-cyclopropyloxy-4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
Molecular FormulaC33H23F10NO3
Molecular Weight671.5
XLogP9.5
Topological Polar Surface Area47.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count11
Heavy Atom Count47
Formal Charge0
Complexity1040
SMILES
C1CC1OC2=C(C=CC(=C2)[C@](CC3=CC=CC=C3)(C4=CC(=CC(=C4)F)OC(C(F)F)(F)F)NC(=O)C5=CC(=C(C=C5)F)C(F)(F)F)F
InChI
InChI=1S/C33H23F10NO3/c34-22-13-21(14-24(16-22)47-33(42,43)30(37)38)31(17-18-4-2-1-3-5-18,20-7-11-27(36)28(15-20)46-23-8-9-23)44-29(45)19-6-10-26(35)25(12-19)32(39,40)41/h1-7,10-16,23,30H,8-9,17H2,(H,44,45)/t31-/m1/s1
InChIKey
UBJMOTPQBCKENW-WJOKGBTCSA-N
Chemical Structure
2D Structure
2D structure of N-[(1R)-1-(3-cyclopropyloxy-4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CAS: 939390-99-5
CID: 23582473
Formula: C33H23F10NO3
MW: 671.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight671.5
XLogP39.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count11
Exact Mass671.15182522
Monoisotopic Mass671.15182522
Topological Polar Surface Area47.6 Ų
Heavy Atom Count47
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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