N-{3-[4-(ethoxycarbonyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}-beta-alanine
Chemical Structure Depiction of
N-{3-[4-(ethoxycarbonyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}-beta-alanine
N-{3-[4-(ethoxycarbonyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}-beta-alanine
Compound characteristics
| Compound ID: | C090-0557 |
| Compound Name: | N-{3-[4-(ethoxycarbonyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}-beta-alanine |
| Molecular Weight: | 464.48 |
| Molecular Formula: | C24 H24 N4 O6 |
| Smiles: | CCOC(N1CCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)NCCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2639 |
| logD: | 0.594 |
| logSw: | -4.0421 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.146 |
| InChI Key: | VBSAWBHQPLRZNO-UHFFFAOYSA-N |