5-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[2-(pyrrolidin-1-yl)ethyl]-4-(thiophene-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
5-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[2-(pyrrolidin-1-yl)ethyl]-4-(thiophene-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one
5-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[2-(pyrrolidin-1-yl)ethyl]-4-(thiophene-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 8020-7376 |
| Compound Name: | 5-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[2-(pyrrolidin-1-yl)ethyl]-4-(thiophene-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 486.54 |
| Molecular Formula: | C24 H26 N2 O7 S |
| Smiles: | COc1cc(C2C(=C(C(N2CCN2CCCC2)=O)O)C(c2cccs2)=O)c(c2c1OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4484 |
| logD: | 1.0482 |
| logSw: | -2.8795 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.004 |
| InChI Key: | MJXRMOIVLSAHKB-GOSISDBHSA-N |