2-({5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N,N-diethylacetamide
Chemical Structure Depiction of
2-({5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N,N-diethylacetamide
2-({5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N,N-diethylacetamide
Compound characteristics
| Compound ID: | 8008-1452 |
| Compound Name: | 2-({5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N,N-diethylacetamide |
| Molecular Weight: | 478.66 |
| Molecular Formula: | C27 H34 N4 O2 S |
| Smiles: | CCN(CC)C(CSc1nnc(COc2ccc(cc2)C2CCCCC2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5712 |
| logD: | 5.5712 |
| logSw: | -5.2427 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.785 |
| InChI Key: | PNUFVSGDWPQMTI-UHFFFAOYSA-N |