4-{[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
4-{[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N-(2-methylpropyl)benzamide
4-{[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V025-5459 |
| Compound Name: | 4-{[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 470.64 |
| Molecular Formula: | C28 H30 N4 O S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1ccc(CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0331 |
| logD: | 5.0331 |
| logSw: | -4.6391 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.63 |
| InChI Key: | NPLKTKKWYCWTAD-UHFFFAOYSA-N |