RefChem:901312

1-[3-(isocyanatomethyl)phenyl]-3-[2-[[4-[[3-(isocyanatomethyl)phenyl]carbamoylamino]phenyl]methyl]phenyl]urea

Also Known As: Urea, N-(3-isocyanatomethylphenyl)-N'-[[[4-[[[(3-isocyanatomethylphenyl)amino]carbonyl]amino]phenyl]methyl]phenyl]-|3-[[[[N-(3-ISOCYANATOMETHYLPHENYL)UREIDO]PHENYLENE]METHYL]PHENYLENEAMINOCARBAMOYL]BENZOYL ISOCYANATE|Urea, N-(3-isocyanatomethylphenyl)-N'-(((4-((((3-isocyanatomethylphenyl)amino)carbonyl)amino)phenyl)methyl)phenyl)-|1-[3-(isocyanatomethyl)phenyl]-3-[2-[[4-[[3-(isocyanatomethyl)phenyl]carbamoylamino]phenyl]methyl]phenyl]urea|3-((((N-(3-Isocyanatomethylphenyl)ureido)phenylene)methyl)phenyleneaminocarbamoyl)benzoyl isocyanate|N'-[3-(Isocyanatomethyl)phenyl]-N'-(2-{[4-({[3-(isocyanatomethyl)phenyl]carbamoyl}amino)phenyl]methyl}phenyl)urea

Molecular Formula	C31H26N6O4
Molecular Weight	546.20154 g/mol
LogP	6.4
Topological Polar Surface Area	141.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	6
Rotatable Bonds	10
Exact Mass	546.20154
Monoisotopic Mass	546.20154
Heavy Atoms	41
Complexity	941.0

Chemical Identifiers

CAS Number	71130-76-2
SMILES	C1=CC=C(C(=C1)CC2=CC=C(C=C2)NC(=O)NC3=CC=CC(=C3)CN=C=O)NC(=O)NC4=CC=CC(=C4)CN=C=O
InChIKey	XLFQDVBEZHKQDT-UHFFFAOYSA-N