Compound C26H31ClN4O2S

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

CAS: 117038-99-0

Molecular Formula	`C26H31ClN4O2S`
Molecular Weight	499.1 g/mol
Topological Polar Surface Area	81.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	498.18564
Heavy Atoms	34
Complexity	732.0

Chemical Identifiers

CAS Number	117038-99-0
SMILES	`C1CCN(CC1)CC(CN2CCCC2=O)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5.Cl`
InChIKey	`JVGDQCCYJNOLKC-UHFFFAOYSA-N`

📖 Product Overview

Compound C26H31ClN4O2S (CAS: 117038-99-0) is a chemical compound with molecular formula C26H31ClN4O2S and molecular weight 499.1 g/mol. Its IUPAC systematic name is 2-[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl]sulfanyl-3-phenylquinazolin-4-one;hydrochloride. Topological Polar Surface Area 81.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 7 Exact Mass 498.18564 Heavy Atoms 34 Complexity 732.0 InChI Key: JVGDQCCYJNOLKC-UHFFFAOYSA-N. SMILES: C1CCN(CC1)CC(CN2CCCC2=O)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5.Cl.

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