N-(3-chloro-2-methylphenyl)-2-{[5-cyclohexyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-{[5-cyclohexyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-chloro-2-methylphenyl)-2-{[5-cyclohexyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7861 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-{[5-cyclohexyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 429.97 |
| Molecular Formula: | C21 H24 Cl N5 O S |
| Smiles: | Cc1c(cccc1[Cl])NC(CSc1nnc(C2CCCCC2)n1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9803 |
| logD: | 4.98 |
| logSw: | -4.912 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.79 |
| InChI Key: | UCSBMOMJBGTAQS-UHFFFAOYSA-N |