2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N,N-diethylacetamide
Chemical Structure Depiction of
2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N,N-diethylacetamide
2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N,N-diethylacetamide
Compound characteristics
| Compound ID: | V011-4971 |
| Compound Name: | 2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N,N-diethylacetamide |
| Molecular Weight: | 448.51 |
| Molecular Formula: | C22 H23 F3 N4 O S |
| Salt: | not_available |
| Smiles: | CCN(CC)C(CSc1nnc(Cc2ccccc2)n1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3897 |
| logD: | 4.3897 |
| logSw: | -4.3956 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.365 |
| InChI Key: | MRNCEXUGUJHSLR-UHFFFAOYSA-N |