6-ethoxy-4-{[4-(2-phenylbutanoyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-ethoxy-4-{[4-(2-phenylbutanoyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
6-ethoxy-4-{[4-(2-phenylbutanoyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D222-0106 |
| Compound Name: | 6-ethoxy-4-{[4-(2-phenylbutanoyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 434.53 |
| Molecular Formula: | C26 H30 N2 O4 |
| Smiles: | CCC(C(N1CCN(CC1)CC1=CC(=O)Oc2ccc(cc12)OCC)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6782 |
| logD: | 3.6762 |
| logSw: | -3.9463 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.958 |
| InChI Key: | PYYYNAHMFRQBPG-JOCHJYFZSA-N |