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88074-60-6 | Benzamide, N-[(phenylamino)carbonyl]-N-[[(phenylamino)carbonyl]oxy]-
CAS No: 88074-60-6 Catalog No: AG004HPV MDL No:
Product Description
Catalog Number:
AG004HPV
Chemical Name:
Benzamide, N-[(phenylamino)carbonyl]-N-[[(phenylamino)carbonyl]oxy]-
CAS Number:
88074-60-6
Molecular Formula:
C21H17N3O4
Molecular Weight:
375.3774
IUPAC Name:
[benzoyl(phenylcarbamoyl)amino] N-phenylcarbamate
InChI:
InChI=1S/C21H17N3O4/c25-19(16-10-4-1-5-11-16)24(20(26)22-17-12-6-2-7-13-17)28-21(27)23-18-14-8-3-9-15-18/h1-15H,(H,22,26)(H,23,27)
InChI Key:
JEDKOPDVYJICRO-UHFFFAOYSA-N
SMILES:
O=C(ON(C(=O)c1ccccc1)C(=O)Nc1ccccc1)Nc1ccccc1
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.122g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
375.384g/mol
Monoisotopic Mass:
375.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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