5-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(3-methoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(3-methoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one
5-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(3-methoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 8020-7142 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(3-methoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 461.47 |
| Molecular Formula: | C25 H23 N3 O6 |
| Smiles: | COc1cccc(c1)C(C1C(c2ccc3c(c2)OCO3)N(CCCn2ccnc2)C(C=1O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5746 |
| logD: | 2.3316 |
| logSw: | -2.6018 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.265 |
| InChI Key: | QSAKUWAVIOLKJW-QFIPXVFZSA-N |