5-(5-chloro-2-methoxyphenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(5-chloro-2-methoxyphenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(5-chloro-2-methoxyphenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 4670-0183 |
| Compound Name: | 5-(5-chloro-2-methoxyphenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 281.76 |
| Molecular Formula: | C12 H12 Cl N3 O S |
| Smiles: | COc1ccc(cc1C1=NNC(N1CC=C)=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.3413 |
| logD: | 2.8507 |
| logSw: | -3.8184 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.465 |
| InChI Key: | LXQKOJKJTSRPSW-UHFFFAOYSA-N |