1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethylbenzene-1-sulfonyl)-5-methyl-1H-1,2,3-triazole
Chemical Structure Depiction of
1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethylbenzene-1-sulfonyl)-5-methyl-1H-1,2,3-triazole
1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethylbenzene-1-sulfonyl)-5-methyl-1H-1,2,3-triazole
Compound characteristics
| Compound ID: | C595-0832 |
| Compound Name: | 1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethylbenzene-1-sulfonyl)-5-methyl-1H-1,2,3-triazole |
| Molecular Weight: | 391.87 |
| Molecular Formula: | C18 H18 Cl N3 O3 S |
| Smiles: | Cc1ccc(cc1C)S(c1c(C)n(c2ccc(c(c2)[Cl])OC)nn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1394 |
| logD: | 4.1394 |
| logSw: | -4.4904 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.987 |
| InChI Key: | LRMAOQITFROFLL-UHFFFAOYSA-N |