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86764-84-3 | Benzoic acid, 4-[[[bis(phenylmethyl)amino]carbonyl]amino]-
CAS No: 86764-84-3 Catalog No: AG004SBA MDL No:
Product Description
Catalog Number:
AG004SBA
Chemical Name:
Benzoic acid, 4-[[[bis(phenylmethyl)amino]carbonyl]amino]-
CAS Number:
86764-84-3
Molecular Formula:
C22H20N2O3
Molecular Weight:
360.4058
IUPAC Name:
4-(dibenzylcarbamoylamino)benzoic acid
InChI:
InChI=1S/C22H20N2O3/c25-21(26)19-11-13-20(14-12-19)23-22(27)24(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,23,27)(H,25,26)
InChI Key:
AESQUTRXAMDOSL-UHFFFAOYSA-N
SMILES:
O=C(N(Cc1ccccc1)Cc1ccccc1)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.147g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.413g/mol
Monoisotopic Mass:
360.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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