BRN 4029216

2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]-3-(4-chlorophenyl)propanoic acid

CAS: 55327-79-2

Molecular Formula	`C21H23Cl3N2O3`
Molecular Weight	457.8 g/mol
LogP	5.1
Topological Polar Surface Area	69.6 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	10
Exact Mass	456.07742
Heavy Atoms	29
Complexity	523.0

Chemical Identifiers

CAS Number	55327-79-2
SMILES	`CC1=C(C=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)Cl)C(=O)O)N(CCCl)CCCl`
InChIKey	`JHRZCEMKIJKSDN-UHFFFAOYSA-N`

📖 Product Overview

BRN 4029216 (CAS: 55327-79-2) is a chemical compound with molecular formula C21H23Cl3N2O3 and molecular weight 457.8 g/mol. Its IUPAC systematic name is 2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]-3-(4-chlorophenyl)propanoic acid. LogP 5.1 Topological Polar Surface Area 69.6 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 10 Exact Mass 456.07742 Heavy Atoms 29 Complexity 523.0 InChI Key: JHRZCEMKIJKSDN-UHFFFAOYSA-N. SMILES: CC1=C(C=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)Cl)C(=O)O)N(CCCl)CCCl.

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