MLS001139340

2-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]benzoic acid

Also Known As: AB00864137-06|2-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carboxamido)benzoic acid|2-{[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0,2,7]trideca-2,4-diene-11-carbonyl]amino}benzoic acid|2-((1s,5s)-8-Oxo-1,3,4,5,6,8-hexahydro-2h-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carboxamido)benzoic acid|2-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl)amino]benzoic acid|2-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]benzoic acid|2-{[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0,2,7]trideca-2,4-diene-11-carbonyl]amino}benzoicacid

Molecular Formula	C19H19N3O4
Molecular Weight	353.13754 g/mol
LogP	2.1977
Topological Polar Surface Area	91.64 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	353.13754
Monoisotopic Mass	353.13754
Heavy Atoms	26
Complexity	936.37665

Chemical Identifiers

CAS Number	1820575-97-0
SMILES	C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=O)NC4=CC=CC=C4C(=O)O