N-{3-[4-(ethoxycarbonyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}glycine
Chemical Structure Depiction of
N-{3-[4-(ethoxycarbonyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}glycine
N-{3-[4-(ethoxycarbonyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}glycine
Compound characteristics
| Compound ID: | C090-0586 |
| Compound Name: | N-{3-[4-(ethoxycarbonyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}glycine |
| Molecular Weight: | 450.45 |
| Molecular Formula: | C23 H22 N4 O6 |
| Smiles: | CCOC(N1CCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)NCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9219 |
| logD: | -0.9177 |
| logSw: | -3.6877 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.305 |
| InChI Key: | ZKCKMTLLUUMDLR-UHFFFAOYSA-N |