N-[2-(4-chlorophenyl)ethyl]-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-[2-(4-chlorophenyl)ethyl]-4-methyl-2-{5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,3-thiazole-5-carboxamide
N-[2-(4-chlorophenyl)ethyl]-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: | L102-0704 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-{5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 484.04 |
| Molecular Formula: | C23 H22 Cl N5 O S2 |
| Smiles: | Cc1c(C(NCCc2ccc(cc2)[Cl])=O)sc(c2c(C)n(c3cccc(c3)SC)nn2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.744 |
| logD: | 4.744 |
| logSw: | -4.8206 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.647 |
| InChI Key: | NBBHPTIZHREOTE-UHFFFAOYSA-N |