(3-{[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}phenyl)[4-(2-fluorophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
(3-{[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}phenyl)[4-(2-fluorophenyl)piperazin-1-yl]methanone
(3-{[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}phenyl)[4-(2-fluorophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | V030-6958 |
| Compound Name: | (3-{[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}phenyl)[4-(2-fluorophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 501.63 |
| Molecular Formula: | C28 H28 F N5 O S |
| Salt: | not_available |
| Smiles: | Cc1nnc(n1Cc1ccccc1)SCc1cccc(c1)C(N1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2154 |
| logD: | 4.2154 |
| logSw: | -4.2909 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.625 |
| InChI Key: | PDJJCLDEVBGKSM-UHFFFAOYSA-N |