2-{[3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoic acid
Chemical Structure Depiction of
2-{[3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoic acid
2-{[3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoic acid
Compound characteristics
| Compound ID: | C090-0418 |
| Compound Name: | 2-{[3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoic acid |
| Molecular Weight: | 453.5 |
| Molecular Formula: | C27 H23 N3 O4 |
| Smiles: | C1CCCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccccc1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.3934 |
| logD: | 2.757 |
| logSw: | -6.0389 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.588 |
| InChI Key: | WPQARWFIJOGBCL-UHFFFAOYSA-N |