3-{[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N-[(4-fluorophenyl)methyl]benzamide
Chemical Structure Depiction of
3-{[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N-[(4-fluorophenyl)methyl]benzamide
3-{[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N-[(4-fluorophenyl)methyl]benzamide
Compound characteristics
| Compound ID: | V030-6910 |
| Compound Name: | 3-{[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N-[(4-fluorophenyl)methyl]benzamide |
| Molecular Weight: | 446.55 |
| Molecular Formula: | C25 H23 F N4 O S |
| Salt: | not_available |
| Smiles: | Cc1nnc(n1Cc1ccccc1)SCc1cccc(c1)C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0996 |
| logD: | 4.0994 |
| logSw: | -4.2356 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.431 |
| InChI Key: | LFLBDZDJUOJHSI-UHFFFAOYSA-N |