4-({3-[4-(furan-2-carbonyl)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-(furan-2-carbonyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)butanoic acid
4-({3-[4-(furan-2-carbonyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)butanoic acid
Compound characteristics
| Compound ID: | C090-0502 |
| Compound Name: | 4-({3-[4-(furan-2-carbonyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)butanoic acid |
| Molecular Weight: | 500.51 |
| Molecular Formula: | C27 H24 N4 O6 |
| Smiles: | C(CC(O)=O)CNc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)C(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3482 |
| logD: | 0.5273 |
| logSw: | -4.1165 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.4 |
| InChI Key: | NNRNOBWREPANOV-UHFFFAOYSA-N |