1-[(5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-1H-tetrazol-5-amine
Chemical Structure Depiction of
1-[(5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-1H-tetrazol-5-amine
1-[(5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-1H-tetrazol-5-amine
Compound characteristics
| Compound ID: | 8019-4743 |
| Compound Name: | 1-[(5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-1H-tetrazol-5-amine |
| Molecular Weight: | 416.87 |
| Molecular Formula: | C17 H14 Cl F N8 S |
| Smiles: | C(c1nnc(n1c1ccccc1)SCc1c(cccc1[Cl])F)n1c(N)nnn1 |
| Stereo: | ACHIRAL |
| logP: | 2.2776 |
| logD: | 2.2765 |
| logSw: | -2.8485 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.926 |
| InChI Key: | JWBHCAQOBLHCIW-UHFFFAOYSA-N |