Compound C28H28N4O3S

3-(4-methoxyphenyl)-2-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one

CAS: 81262-83-1

Molecular Formula	`C28H28N4O3S`
Molecular Weight	500.6 g/mol
LogP	4.8
Topological Polar Surface Area	90.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	500.1882
Heavy Atoms	36
Complexity	799.0

Chemical Identifiers

CAS Number	81262-83-1
SMILES	`CC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)OC`
InChIKey	`KMOLJGJLCBWGDA-UHFFFAOYSA-N`

📖 Product Overview

Compound C28H28N4O3S (CAS: 81262-83-1) is a chemical compound with molecular formula C28H28N4O3S and molecular weight 500.6 g/mol. Its IUPAC systematic name is 3-(4-methoxyphenyl)-2-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one. LogP 4.8 Topological Polar Surface Area 90.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 6 Exact Mass 500.1882 Heavy Atoms 36 Complexity 799.0 InChI Key: KMOLJGJLCBWGDA-UHFFFAOYSA-N. SMILES: CC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)OC.

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