5-(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-(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-(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: | 8020-7381 |
| Compound Name: | 5-(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: | 426.49 |
| Molecular Formula: | C22 H22 N2 O5 S |
| Smiles: | C1CCN(C1)CCN1C(C(=C(C1=O)O)C(c1cccs1)=O)c1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8865 |
| logD: | 1.4863 |
| logSw: | -3.0266 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.288 |
| InChI Key: | MQTSAPCODGMLII-LJQANCHMSA-N |