3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | Y070-3200 |
| Compound Name: | 3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 488.5 |
| Molecular Formula: | C26 H24 N4 O6 |
| Smiles: | CC1Cc2cc(ccc2O1)C(C1C(c2cccc(c2)[N+]([O-])=O)N(CCCn2ccnc2)C(C=1O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8966 |
| logD: | 2.6535 |
| logSw: | -3.0568 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.389 |
| InChI Key: | OOCSGYWKKWHOTR-UHFFFAOYSA-N |