Compound C26H27ClN2O3S2

3-[[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acid

CAS: 135028-15-8

Molecular Formula	`C26H27ClN2O3S2`
Molecular Weight	515.1 g/mol
LogP	5.3
Topological Polar Surface Area	121.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	11
Exact Mass	514.1152
Heavy Atoms	34
Complexity	693.0

Chemical Identifiers

CAS Number	135028-15-8
SMILES	`CN(C)C(=O)CCSC(C1=CC=CC(=C1)C=CC2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC(=O)O`
InChIKey	`AXUZQJFHDNNPFG-UHFFFAOYSA-N`

📖 Product Overview

Compound C26H27ClN2O3S2 (CAS: 135028-15-8) is a chemical compound with molecular formula C26H27ClN2O3S2 and molecular weight 515.1 g/mol. Its IUPAC systematic name is 3-[[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acid. LogP 5.3 Topological Polar Surface Area 121.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 11 Exact Mass 514.1152 Heavy Atoms 34 Complexity 693.0 InChI Key: AXUZQJFHDNNPFG-UHFFFAOYSA-N. SMILES: CN(C)C(=O)CCSC(C1=CC=CC(=C1)C=CC2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC(=O)O.

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