N-benzyl-4-methyl-2-{5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,3-thiazole-5-carboxamide
Chemical Structure Depiction of
N-benzyl-4-methyl-2-{5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,3-thiazole-5-carboxamide
N-benzyl-4-methyl-2-{5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | L102-0686 |
| Compound Name: | N-benzyl-4-methyl-2-{5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 435.57 |
| Molecular Formula: | C22 H21 N5 O S2 |
| Smiles: | Cc1c(C(NCc2ccccc2)=O)sc(c2c(C)n(c3cccc(c3)SC)nn2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.2157 |
| logD: | 4.2157 |
| logSw: | -4.3267 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.806 |
| InChI Key: | RNWWGAOIRJDTRD-UHFFFAOYSA-N |