2-({[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
2-({[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
2-({[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V031-0095 |
| Compound Name: | 2-({[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C22 H19 N5 O S |
| Smiles: | C(c1ccccc1)n1c(c2cccnc2)nnc1SCc1ccccc1C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8592 |
| logD: | 2.8297 |
| logSw: | -3.3132 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.546 |
| InChI Key: | UIXUCTJEBNHYGQ-UHFFFAOYSA-N |