2-{[4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
2-{[4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | V014-9397 |
| Compound Name: | 2-{[4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 432.58 |
| Molecular Formula: | C22 H32 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCN(CC)C(CSc1nnc(c2cc(cc(c2)OC)OC)n1C1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1961 |
| logD: | 4.1961 |
| logSw: | -4.1226 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.309 |
| InChI Key: | GAXZSMPFDLVNMD-UHFFFAOYSA-N |