5-[(3-chloro-2-methylanilino)methyl]-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-[(3-chloro-2-methylanilino)methyl]-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-[(3-chloro-2-methylanilino)methyl]-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8013-2352 |
| Compound Name: | 5-[(3-chloro-2-methylanilino)methyl]-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 294.8 |
| Molecular Formula: | C13 H15 Cl N4 S |
| Smiles: | Cc1c(cccc1[Cl])NCC1=NNC(N1CC=C)=S |
| Stereo: | ACHIRAL |
| logP: | 3.6334 |
| logD: | 3.399 |
| logSw: | -3.8587 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 37.499 |
| InChI Key: | GCLDEFJGCAMIGA-UHFFFAOYSA-N |