3-hydroxy-5-(7-methoxy-2H-1,3-benzodioxol-5-yl)-1-[2-(pyrrolidin-1-yl)ethyl]-4-(thiophene-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
3-hydroxy-5-(7-methoxy-2H-1,3-benzodioxol-5-yl)-1-[2-(pyrrolidin-1-yl)ethyl]-4-(thiophene-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one
3-hydroxy-5-(7-methoxy-2H-1,3-benzodioxol-5-yl)-1-[2-(pyrrolidin-1-yl)ethyl]-4-(thiophene-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 8020-7379 |
| Compound Name: | 3-hydroxy-5-(7-methoxy-2H-1,3-benzodioxol-5-yl)-1-[2-(pyrrolidin-1-yl)ethyl]-4-(thiophene-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C23 H24 N2 O6 S |
| Smiles: | COc1cc(cc2c1OCO2)C1C(=C(C(N1CCN1CCCC1)=O)O)C(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8041 |
| logD: | 1.4039 |
| logSw: | -2.9598 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.602 |
| InChI Key: | AWPLLYCQIDJLKK-LJQANCHMSA-N |