3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4-(propan-2-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4-(propan-2-yl)-4H-1,2,4-triazole
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4-(propan-2-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-5191 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4-(propan-2-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 436.01 |
| Molecular Formula: | C21 H23 Cl F N3 S2 |
| Smiles: | CC1CCc2c(csc2C1)c1nnc(n1C(C)C)SCc1c(cccc1[Cl])F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6646 |
| logD: | 6.6617 |
| logSw: | -6.5542 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 26.2551 |
| InChI Key: | VOVZIEBTJCOLNE-CYBMUJFWSA-N |