N-[2-(ethylsulfanyl)phenyl]-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[2-(ethylsulfanyl)phenyl]-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
N-[2-(ethylsulfanyl)phenyl]-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | 8544-0671 |
| Compound Name: | N-[2-(ethylsulfanyl)phenyl]-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 455.54 |
| Molecular Formula: | C25 H21 N5 O2 S |
| Smiles: | CCSc1ccccc1NC(c1c(C)n(c2ccc3c(c2)c(c2ccccc2)on3)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.308 |
| logD: | 5.3079 |
| logSw: | -5.3607 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.958 |
| InChI Key: | XFKWECZENPRIMQ-UHFFFAOYSA-N |