4-(2H-1,3-benzodioxole-5-carbonyl)-5-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[(pyridin-4-yl)methyl]-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxole-5-carbonyl)-5-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[(pyridin-4-yl)methyl]-1,5-dihydro-2H-pyrrol-2-one
4-(2H-1,3-benzodioxole-5-carbonyl)-5-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[(pyridin-4-yl)methyl]-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 8020-7414 |
| Compound Name: | 4-(2H-1,3-benzodioxole-5-carbonyl)-5-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[(pyridin-4-yl)methyl]-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 458.43 |
| Molecular Formula: | C25 H18 N2 O7 |
| Smiles: | C(c1ccncc1)N1C(C(=C(C1=O)O)C(c1ccc2c(c1)OCO2)=O)c1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6419 |
| logD: | 2.6198 |
| logSw: | -2.7529 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.486 |
| InChI Key: | TTWKABNZYPVNMM-QFIPXVFZSA-N |