N,N-diethyl-2-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N,N-diethyl-2-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N,N-diethyl-2-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | V001-4878 |
| Compound Name: | N,N-diethyl-2-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C20 H23 N5 O S |
| Salt: | not_available |
| Smiles: | CCN(CC)C(CSc1nnc(c2cccnc2)n1c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8738 |
| logD: | 2.8696 |
| logSw: | -2.7516 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.907 |
| InChI Key: | LXQAFDQJQIPWIP-UHFFFAOYSA-N |