3-{[3-(1H-benzotriazol-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}benzoic acid
Chemical Structure Depiction of
3-{[3-(1H-benzotriazol-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}benzoic acid
3-{[3-(1H-benzotriazol-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}benzoic acid
Compound characteristics
| Compound ID: | 8013-0195 |
| Compound Name: | 3-{[3-(1H-benzotriazol-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}benzoic acid |
| Molecular Weight: | 410.39 |
| Molecular Formula: | C23 H14 N4 O4 |
| Smiles: | c1ccc2C(C(=C(C(c2c1)=O)Nc1cccc(c1)C(O)=O)n1c2ccccc2nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8853 |
| logD: | 0.9995 |
| logSw: | -4.1159 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.452 |
| InChI Key: | SEXWJBVPCJURDW-UHFFFAOYSA-N |