1-(3-chloro-4-methylphenyl)-4-(3,4-dimethylbenzene-1-sulfonyl)-5-methyl-1H-1,2,3-triazole
Chemical Structure Depiction of
1-(3-chloro-4-methylphenyl)-4-(3,4-dimethylbenzene-1-sulfonyl)-5-methyl-1H-1,2,3-triazole
1-(3-chloro-4-methylphenyl)-4-(3,4-dimethylbenzene-1-sulfonyl)-5-methyl-1H-1,2,3-triazole
Compound characteristics
| Compound ID: | C595-0849 |
| Compound Name: | 1-(3-chloro-4-methylphenyl)-4-(3,4-dimethylbenzene-1-sulfonyl)-5-methyl-1H-1,2,3-triazole |
| Molecular Weight: | 375.88 |
| Molecular Formula: | C18 H18 Cl N3 O2 S |
| Smiles: | Cc1ccc(cc1C)S(c1c(C)n(c2ccc(C)c(c2)[Cl])nn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0189 |
| logD: | 5.0189 |
| logSw: | -5.2286 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.357 |
| InChI Key: | PCMPMPMSLADGAL-UHFFFAOYSA-N |