4-(2H-1,3-benzodioxole-5-carbonyl)-3-hydroxy-1-[(pyridin-4-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxole-5-carbonyl)-3-hydroxy-1-[(pyridin-4-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
4-(2H-1,3-benzodioxole-5-carbonyl)-3-hydroxy-1-[(pyridin-4-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 8020-7423 |
| Compound Name: | 4-(2H-1,3-benzodioxole-5-carbonyl)-3-hydroxy-1-[(pyridin-4-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 504.5 |
| Molecular Formula: | C27 H24 N2 O8 |
| Smiles: | COc1cc(cc(c1OC)OC)C1C(=C(C(N1Cc1ccncc1)=O)O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.411 |
| logD: | 2.3888 |
| logSw: | -2.7815 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.348 |
| InChI Key: | WRHDZCCOZWNVBX-QHCPKHFHSA-N |