3-{[(2-chlorophenyl)methyl]sulfanyl}-5-(cyclohexylmethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chlorophenyl)methyl]sulfanyl}-5-(cyclohexylmethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-{[(2-chlorophenyl)methyl]sulfanyl}-5-(cyclohexylmethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-9743 |
| Compound Name: | 3-{[(2-chlorophenyl)methyl]sulfanyl}-5-(cyclohexylmethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 361.94 |
| Molecular Formula: | C19 H24 Cl N3 S |
| Smiles: | C=CCn1c(CC2CCCCC2)nnc1SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.8038 |
| logD: | 5.8038 |
| logSw: | -6.1229 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.3875 |
| InChI Key: | QWAHKPJYZDGNTO-UHFFFAOYSA-N |