2-{[4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
2-{[4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | V013-7625 |
| Compound Name: | 2-{[4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 402.56 |
| Molecular Formula: | C21 H30 N4 O2 S |
| Salt: | not_available |
| Smiles: | CCN(CC)C(CSc1nnc(c2ccc(cc2)OC)n1C1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2114 |
| logD: | 4.2114 |
| logSw: | -4.0387 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.766 |
| InChI Key: | LFQVOQGVMRLYFE-UHFFFAOYSA-N |