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1022594-77-9 | Carbamic acid, N-[[4-[[(3-aminophenyl)amino]carbonyl]phenyl]methyl]-, phenylmethyl ester
CAS No: 1022594-77-9 Catalog No: AG00071W MDL No:
Product Description
Catalog Number:
AG00071W
Chemical Name:
Carbamic acid, N-[[4-[[(3-aminophenyl)amino]carbonyl]phenyl]methyl]-, phenylmethyl ester
CAS Number:
1022594-77-9
Molecular Formula:
C22H21N3O3
Molecular Weight:
375.4204
IUPAC Name:
benzyl N-[[4-[(3-aminophenyl)carbamoyl]phenyl]methyl]carbamate
InChI:
InChI=1S/C22H21N3O3/c23-19-7-4-8-20(13-19)25-21(26)18-11-9-16(10-12-18)14-24-22(27)28-15-17-5-2-1-3-6-17/h1-13H,14-15,23H2,(H,24,27)(H,25,26)
InChI Key:
LOTNXFQCJQWAAZ-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)NCc1ccc(cc1)C(=O)Nc1cccc(c1)N
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.158g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
375.428g/mol
Monoisotopic Mass:
375.158g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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