2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D621-0007 |
| Compound Name: | 2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 427.54 |
| Molecular Formula: | C21 H21 N3 O3 S2 |
| Smiles: | C1CCN(C1)C(CSc1c(nc(c2ccccc2)[nH]1)S(c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8531 |
| logD: | 3.8246 |
| logSw: | -3.9441 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.221 |
| InChI Key: | QNQLTVQEXDCQFI-UHFFFAOYSA-N |