NSC 249286

1-(2-chloroethyl)-3-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)urea

Also Known As: Urea, 1-(2-chloroethyl)-3-(10-methylthio-9-oxo-1,2,3-trimethoxy-5,6,7,9-tetrahydrobenzo(a)heptalen-7-yl)-|urea, n-(2-chloroethyl)-n'-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-|1- -3-[10-methylthio-9-oxo-1,2,3-trimethoxy-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]urea|1-(2-chloroethyl)-3-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)urea|1-(2-Chloroethyl)-3-[10-methylthio-9-oxo-1,2,3-trimethoxy-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]urea|3-(2-chloroethyl)-1-[3,4,5-trimethoxy-14-(methylsulfanyl)-13-oxotricyclo[9.5.0.02,7]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl]urea|Urea, N-(2-chloroethyl)-N'-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, (S)-

Molecular Formula	C23H27ClN2O5S
Molecular Weight	478.13293 g/mol
LogP	3.99
Topological Polar Surface Area	85.89 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	478.13293
Heavy Atoms	32
Complexity	1063.3

Chemical Identifiers

CAS Number	75776-08-8
SMILES	COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)NCCCl)OC)OC