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BMS-819881 10mg

CAT: 0628-A21500-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A21500-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1197420-05-5

Chemical Information

(r)-6-(4-Chlorophenyl)-3-(4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4(3h)-one
CAS Number1197420-05-5
PubChem CID44476451
IUPAC Name6-(4-chlorophenyl)-3-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4-one
Molecular FormulaC24H21ClN2O4S
Molecular Weight469.0
XLogP4.8
Topological Polar Surface Area99.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity699
SMILES
COC1=C(C=CC(=C1)N2C=NC3=C(C2=O)SC(=C3)C4=CC=C(C=C4)Cl)OC[C@@H](C5CC5)O
InChI
InChI=1S/C24H21ClN2O4S/c1-30-21-10-17(8-9-20(21)31-12-19(28)14-2-3-14)27-13-26-18-11-22(32-23(18)24(27)29)15-4-6-16(25)7-5-15/h4-11,13-14,19,28H,2-3,12H2,1H3/t19-/m0/s1
InChIKey
WKMOSCAIWUUQPD-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of (r)-6-(4-Chlorophenyl)-3-(4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4(3h)-one
CAS: 1197420-05-5
CID: 44476451
Formula: C24H21ClN2O4S
MW: 469.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.0
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass468.0910560
Monoisotopic Mass468.0910560
Topological Polar Surface Area99.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity699
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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