5-[2-(4-chlorophenyl)cyclopropyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[2-(4-chlorophenyl)cyclopropyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
5-[2-(4-chlorophenyl)cyclopropyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y501-8219 |
| Compound Name: | 5-[2-(4-chlorophenyl)cyclopropyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 357.86 |
| Molecular Formula: | C18 H16 Cl N3 O S |
| Smiles: | COc1ccc(cc1)n1c(C2CC2c2ccc(cc2)[Cl])nnc1S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3565 |
| logD: | 2.5989 |
| logSw: | -4.8159 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.2531 |
| InChI Key: | QKLMFWKDGOWBSV-UHFFFAOYSA-N |