2-{[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N-[(pyridin-4-yl)methyl]benzamide
Chemical Structure Depiction of
2-{[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N-[(pyridin-4-yl)methyl]benzamide
2-{[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N-[(pyridin-4-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V029-3842 |
| Compound Name: | 2-{[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N-[(pyridin-4-yl)methyl]benzamide |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C24 H23 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1nnc(n1Cc1ccccc1)SCc1ccccc1C(NCc1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2286 |
| logD: | 3.2252 |
| logSw: | -3.4581 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.859 |
| InChI Key: | IIKWNNRLGKLUKQ-UHFFFAOYSA-N |