3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4-(thiophene-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4-(thiophene-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one
3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4-(thiophene-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 8020-7412 |
| Compound Name: | 3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4-(thiophene-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 467.5 |
| Molecular Formula: | C23 H21 N3 O6 S |
| Smiles: | COc1cc(cc2c1OCO2)C1C(=C(C(N1CCCn1ccnc1)=O)O)C(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2496 |
| logD: | 1.9991 |
| logSw: | -2.6264 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.054 |
| InChI Key: | UCJIMAAXBRNNIQ-LJQANCHMSA-N |