N-(3-bromophenyl)-2-{[5-cyclohexyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-bromophenyl)-2-{[5-cyclohexyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-bromophenyl)-2-{[5-cyclohexyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7888 |
| Compound Name: | N-(3-bromophenyl)-2-{[5-cyclohexyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 460.39 |
| Molecular Formula: | C20 H22 Br N5 O S |
| Smiles: | C1CCC(CC1)c1nnc(n1n1cccc1)SCC(Nc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.981 |
| logD: | 4.9808 |
| logSw: | -4.7529 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.488 |
| InChI Key: | QJFGRHADFCPDTJ-UHFFFAOYSA-N |