3-({3-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid
Chemical Structure Depiction of
3-({3-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid
3-({3-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid
Compound characteristics
| Compound ID: | C090-0452 |
| Compound Name: | 3-({3-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid |
| Molecular Weight: | 546.58 |
| Molecular Formula: | C32 H26 N4 O5 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1cccc(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.5667 |
| logD: | 4.2723 |
| logSw: | -5.9011 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.759 |
| InChI Key: | XHEYNUVVVPSAJA-UHFFFAOYSA-N |