Compound C18H19ClN4O5S

5-[4-[2-chloropropyl(ethyl)amino]phenyl]sulfanyl-2,4-dinitrobenzamide

CAS: 32868-91-0

Molecular Formula	`C18H19ClN4O5S`
Molecular Weight	438.9 g/mol
LogP	4.0
Topological Polar Surface Area	163.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	438.07648
Heavy Atoms	29
Complexity	594.0

Chemical Identifiers

CAS Number	32868-91-0
SMILES	`CCN(CC(C)Cl)C1=CC=C(C=C1)SC2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]`
InChIKey	`MXVYOYZHUFYOHM-UHFFFAOYSA-N`

📖 Product Overview

Compound C18H19ClN4O5S (CAS: 32868-91-0) is a chemical compound with molecular formula C18H19ClN4O5S and molecular weight 438.9 g/mol. Its IUPAC systematic name is 5-[4-[2-chloropropyl(ethyl)amino]phenyl]sulfanyl-2,4-dinitrobenzamide. LogP 4.0 Topological Polar Surface Area 163.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 7 Exact Mass 438.07648 Heavy Atoms 29 Complexity 594.0 InChI Key: MXVYOYZHUFYOHM-UHFFFAOYSA-N. SMILES: CCN(CC(C)Cl)C1=CC=C(C=C1)SC2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-].

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