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AMG-1694 10mg

CAT: 0628-A21723-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A21723-10Size:10 mg
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CAS Number
1361217-07-3

Chemical Information

(2r)-1,1,1-Trifluoro-2-{4-[(2s)-2-{[(3s)-3-Methylmorpholin-4-Yl]methyl}-4-(Thiophen-2-Ylsulfonyl)piperazin-1-Yl]phenyl}propan-2-Ol
CAS Number1361217-07-3
PubChem CID66582747
IUPAC Name(2R)-1,1,1-trifluoro-2-[4-[(2S)-2-[[(3S)-3-methylmorpholin-4-yl]methyl]-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol
Molecular FormulaC23H30F3N3O4S2
Molecular Weight533.6
XLogP3.3
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity820
SMILES
C[C@H]1COCCN1C[C@H]2CN(CCN2C3=CC=C(C=C3)[C@](C)(C(F)(F)F)O)S(=O)(=O)C4=CC=CS4
InChI
InChI=1S/C23H30F3N3O4S2/c1-17-16-33-12-11-27(17)14-20-15-28(35(31,32)21-4-3-13-34-21)9-10-29(20)19-7-5-18(6-8-19)22(2,30)23(24,25)26/h3-8,13,17,20,30H,9-12,14-16H2,1-2H3/t17-,20-,22+/m0/s1
InChIKey
OJTJLEFGCNYTBQ-RBDMOPTHSA-N
Chemical Structure
2D Structure
2D structure of (2r)-1,1,1-Trifluoro-2-{4-[(2s)-2-{[(3s)-3-Methylmorpholin-4-Yl]methyl}-4-(Thiophen-2-Ylsulfonyl)piperazin-1-Yl]phenyl}propan-2-Ol
CAS: 1361217-07-3
CID: 66582747
Formula: C23H30F3N3O4S2
MW: 533.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight533.6
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass533.16298328
Monoisotopic Mass533.16298328
Topological Polar Surface Area110 Ų
Heavy Atom Count35
Formal Charge0
Complexity820
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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