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160647-76-7 | Carbamic acid, [3-[(4-pyridinylamino)carbonyl]phenyl]-, phenyl ester (9CI)
CAS No: 160647-76-7 Catalog No: AG001S3J MDL No:
Product Description
Catalog Number:
AG001S3J
Chemical Name:
Carbamic acid, [3-[(4-pyridinylamino)carbonyl]phenyl]-, phenyl ester (9CI)
CAS Number:
160647-76-7
Molecular Formula:
C19H15N3O3
Molecular Weight:
333.3407
IUPAC Name:
phenyl N-[3-(pyridin-4-ylcarbamoyl)phenyl]carbamate
InChI:
InChI=1S/C19H15N3O3/c23-18(21-15-9-11-20-12-10-15)14-5-4-6-16(13-14)22-19(24)25-17-7-2-1-3-8-17/h1-13H,(H,22,24)(H,20,21,23)
InChI Key:
IRNDQMBBOIZKET-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccccc1)Nc1cccc(c1)C(=O)Nc1ccncc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.111g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.347g/mol
Monoisotopic Mass:
333.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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