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833474-80-9 | 2-Pyrrolidinone, 5-[(4-chlorothieno[3,2-d]pyrimidin-6-yl)ethynyl]-, (5R)-
CAS No: 833474-80-9 Catalog No: AG004SDA MDL No:
Product Description
Catalog Number:
AG004SDA
Chemical Name:
2-Pyrrolidinone, 5-[(4-chlorothieno[3,2-d]pyrimidin-6-yl)ethynyl]-, (5R)-
CAS Number:
833474-80-9
Molecular Formula:
C12H8ClN3OS
Molecular Weight:
277.7294
IUPAC Name:
(5R)-5-[2-(4-chlorothieno[3,2-d]pyrimidin-6-yl)ethynyl]pyrrolidin-2-one
InChI:
InChI=1S/C12H8ClN3OS/c13-12-11-9(14-6-15-12)5-8(18-11)3-1-7-2-4-10(17)16-7/h5-7H,2,4H2,(H,16,17)/t7-/m0/s1
InChI Key:
XYUAURFFEYLCRC-ZETCQYMHSA-N
SMILES:
O=C1CC[C@@H](N1)C#Cc1cc2c(s1)c(Cl)ncn2
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
277.008g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.726g/mol
Monoisotopic Mass:
277.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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