AC1L9E6S

4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-2-(2-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methylaniline

Also Known As: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-2|4,4'-{[2-(2-Fluorophenyl)dihydropyrimidine-1,3(2H,4H)-diyl]bis(methylene)}bis[N,N-bis(2-chloroethyl)-3-methylaniline]|4,4'-{[2-(2-Fluorophenyl)-1,3-diazinane-1,3-diyl]bis(methylene)}bis[N,N-bis(2-chloroethyl)-3-methylaniline]|4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-2-(2-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methylaniline

Molecular Formula	C34H43Cl4FN4
Molecular Weight	666.2226 g/mol
LogP	8.5
Topological Polar Surface Area	13.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	15
Exact Mass	666.2226
Monoisotopic Mass	666.2226
Heavy Atoms	43
Complexity	721.0

Chemical Identifiers

CAS Number	19320-06-0
SMILES	CC1=C(C=CC(=C1)N(CCCl)CCCl)CN2CCCN(C2C3=CC=CC=C3F)CC4=C(C=C(C=C4)N(CCCl)CCCl)C
InChIKey	TXBLQCYQCWLYEK-UHFFFAOYSA-N