5-methyl-N-[2-(methylsulfanyl)phenyl]-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-methyl-N-[2-(methylsulfanyl)phenyl]-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
5-methyl-N-[2-(methylsulfanyl)phenyl]-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | 8544-0674 |
| Compound Name: | 5-methyl-N-[2-(methylsulfanyl)phenyl]-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 441.51 |
| Molecular Formula: | C24 H19 N5 O2 S |
| Smiles: | Cc1c(C(Nc2ccccc2SC)=O)nnn1c1ccc2c(c1)c(c1ccccc1)on2 |
| Stereo: | ACHIRAL |
| logP: | 4.8573 |
| logD: | 4.8571 |
| logSw: | -4.6539 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.958 |
| InChI Key: | NYRTXEMTBBOGIU-UHFFFAOYSA-N |