4-({3-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)butanoic acid
Chemical Structure Depiction of
4-({3-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)butanoic acid
4-({3-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)butanoic acid
Compound characteristics
| Compound ID: | C090-0491 |
| Compound Name: | 4-({3-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)butanoic acid |
| Molecular Weight: | 512.57 |
| Molecular Formula: | C29 H28 N4 O5 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)NCCCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8793 |
| logD: | 2.0584 |
| logSw: | -4.7015 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.17 |
| InChI Key: | VPNYQKLWOYQWQD-UHFFFAOYSA-N |