4-{[3-(4-methylpiperidin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}butanoic acid
Chemical Structure Depiction of
4-{[3-(4-methylpiperidin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}butanoic acid
4-{[3-(4-methylpiperidin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}butanoic acid
Compound characteristics
| Compound ID: | C090-0484 |
| Compound Name: | 4-{[3-(4-methylpiperidin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}butanoic acid |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C24 H25 N3 O4 |
| Smiles: | CC1CCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)NCCCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4704 |
| logD: | 1.6495 |
| logSw: | -4.4895 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.366 |
| InChI Key: | UHBDRTVCPVRSQQ-UHFFFAOYSA-N |