4-[(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
4-[(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
4-[(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: | C090-0465 |
| Compound Name: | 4-[(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)Nc1ccc(cc1)C(O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.5388 |
| logD: | 5.1436 |
| logSw: | -6.0926 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.126 |
| InChI Key: | PSCOBZNLAHXYKZ-UHFFFAOYSA-N |