ethyl 6-(5-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate
Chemical Structure Depiction of
ethyl 6-(5-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate
ethyl 6-(5-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate
Compound characteristics
| Compound ID: | 2683-0170 |
| Compound Name: | ethyl 6-(5-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C19 H22 N4 O4 S |
| Smiles: | CCOC(CCCCC(C1=C(CSc2nc3ccccc3[nH]2)NC(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0628 |
| logD: | -1.179 |
| logSw: | -2.5829 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.252 |
| InChI Key: | HRCGOBVLZLYNFI-UHFFFAOYSA-N |