Compound C27H33ClN4O2S

3-(4-methylphenyl)-2-[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl]sulfanylquinazolin-4-one;hydrochloride

CAS: 117039-00-6

Molecular Formula	`C27H33ClN4O2S`
Molecular Weight	513.1 g/mol
Topological Polar Surface Area	81.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	512.2013
Heavy Atoms	35
Complexity	760.0

Chemical Identifiers

CAS Number	117039-00-6
SMILES	`CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(CN4CCCCC4)CN5CCCC5=O.Cl`
InChIKey	`ZIVUXXWXPYSGBW-UHFFFAOYSA-N`

📖 Product Overview

Compound C27H33ClN4O2S (CAS: 117039-00-6) is a chemical compound with molecular formula C27H33ClN4O2S and molecular weight 513.1 g/mol. Its IUPAC systematic name is 3-(4-methylphenyl)-2-[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl]sulfanylquinazolin-4-one;hydrochloride. Topological Polar Surface Area 81.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 7 Exact Mass 512.2013 Heavy Atoms 35 Complexity 760.0 InChI Key: ZIVUXXWXPYSGBW-UHFFFAOYSA-N. SMILES: CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(CN4CCCCC4)CN5CCCC5=O.Cl.

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