4-(2H-1,3-benzodioxole-5-carbonyl)-5-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxole-5-carbonyl)-5-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one
4-(2H-1,3-benzodioxole-5-carbonyl)-5-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 8020-7277 |
| Compound Name: | 4-(2H-1,3-benzodioxole-5-carbonyl)-5-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 535.51 |
| Molecular Formula: | C27 H25 N3 O9 |
| Smiles: | COc1c(cc2c(c1OC)OCO2)C1C(=C(C(N1CCCn1ccnc1)=O)O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2429 |
| logD: | 1.9999 |
| logSw: | -2.8993 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.955 |
| InChI Key: | MXYONKPMIYKKHD-NRFANRHFSA-N |