N-{3-[1-(5-chloro-2-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3,4-dimethylbenzamide
Chemical Structure Depiction of
N-{3-[1-(5-chloro-2-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3,4-dimethylbenzamide
N-{3-[1-(5-chloro-2-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3,4-dimethylbenzamide
Compound characteristics
Compound ID: | G193-0459 |
Compound Name: | N-{3-[1-(5-chloro-2-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3,4-dimethylbenzamide |
Molecular Weight: | 454.94 |
Molecular Formula: | C21 H19 Cl N6 O2 S |
Smiles: | Cc1ccc(cc1C)C(Nc1nc(c2c(C)n(c3cc(ccc3OC)[Cl])nn2)ns1)=O |
Stereo: | ACHIRAL |
logP: | 4.9018 |
logD: | 4.884 |
logSw: | -4.9811 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 78.09 |
InChI Key: | CWWVNBKKHOYBPI-UHFFFAOYSA-N |