2-[(3-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]benzoic acid
Chemical Structure Depiction of
2-[(3-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]benzoic acid
2-[(3-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]benzoic acid
Compound characteristics
| Compound ID: | C090-0463 |
| Compound Name: | 2-[(3-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]benzoic acid |
| Molecular Weight: | 595.05 |
| Molecular Formula: | C33 H27 Cl N4 O5 |
| Smiles: | COc1ccc(cc1CN1CCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccccc1C(O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.8845 |
| logD: | 3.2481 |
| logSw: | -6.1704 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.428 |
| InChI Key: | FZRNKHIAXIBAQV-UHFFFAOYSA-N |