N-cyclohexyl-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-cyclohexyl-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-cyclohexyl-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8009-1699 |
| Compound Name: | N-cyclohexyl-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C23 H26 N4 O2 S |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(NC1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5443 |
| logD: | 4.5443 |
| logSw: | -4.2426 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.453 |
| InChI Key: | BLQQARJRUDOOII-UHFFFAOYSA-N |