3-{[(3-chlorophenyl)methyl]sulfanyl}-5-[4-(cyclopentyloxy)phenyl]-4-methyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3-chlorophenyl)methyl]sulfanyl}-5-[4-(cyclopentyloxy)phenyl]-4-methyl-4H-1,2,4-triazole
3-{[(3-chlorophenyl)methyl]sulfanyl}-5-[4-(cyclopentyloxy)phenyl]-4-methyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y206-7508 |
| Compound Name: | 3-{[(3-chlorophenyl)methyl]sulfanyl}-5-[4-(cyclopentyloxy)phenyl]-4-methyl-4H-1,2,4-triazole |
| Molecular Weight: | 399.94 |
| Molecular Formula: | C21 H22 Cl N3 O S |
| Smiles: | Cn1c(c2ccc(cc2)OC2CCCC2)nnc1SCc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.5128 |
| logD: | 5.5128 |
| logSw: | -5.9808 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.871 |
| InChI Key: | KLLMBBHYMZMRCV-UHFFFAOYSA-N |