4-({3-[4-(ethoxycarbonyl)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-(ethoxycarbonyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)butanoic acid
4-({3-[4-(ethoxycarbonyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)butanoic acid
Compound characteristics
| Compound ID: | C090-0487 |
| Compound Name: | 4-({3-[4-(ethoxycarbonyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)butanoic acid |
| Molecular Weight: | 478.5 |
| Molecular Formula: | C25 H26 N4 O6 |
| Smiles: | CCOC(N1CCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)NCCCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6778 |
| logD: | 0.8569 |
| logSw: | -4.266 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.146 |
| InChI Key: | NLONRPBMVZEZJB-UHFFFAOYSA-N |