1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-5-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4-(thiophene-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-5-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4-(thiophene-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one
1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-5-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4-(thiophene-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 8020-7378 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-5-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4-(thiophene-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 493.49 |
| Molecular Formula: | C25 H19 N O8 S |
| Smiles: | COc1cc(cc2c1OCO2)C1C(=C(C(N1Cc1ccc2c(c1)OCO2)=O)O)C(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6844 |
| logD: | 3.6582 |
| logSw: | -3.9431 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.391 |
| InChI Key: | BDLKJDALXOSBPE-OAQYLSRUSA-N |