3-{[(3-chlorophenyl)methyl]sulfanyl}-4-ethyl-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3-chlorophenyl)methyl]sulfanyl}-4-ethyl-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
3-{[(3-chlorophenyl)methyl]sulfanyl}-4-ethyl-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y207-2407 |
| Compound Name: | 3-{[(3-chlorophenyl)methyl]sulfanyl}-4-ethyl-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 403.99 |
| Molecular Formula: | C20 H22 Cl N3 S2 |
| Smiles: | CCn1c(c2csc3CC(C)CCc23)nnc1SCc1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3088 |
| logD: | 6.3059 |
| logSw: | -6.4475 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.9044 |
| InChI Key: | SXSXOQXYPHSJID-CYBMUJFWSA-N |