5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-N-{2-[(propan-2-yl)sulfanyl]phenyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-N-{2-[(propan-2-yl)sulfanyl]phenyl}-1H-1,2,3-triazole-4-carboxamide
5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-N-{2-[(propan-2-yl)sulfanyl]phenyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | 8544-0672 |
| Compound Name: | 5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-N-{2-[(propan-2-yl)sulfanyl]phenyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C26 H23 N5 O2 S |
| Smiles: | CC(C)Sc1ccccc1NC(c1c(C)n(c2ccc3c(c2)c(c2ccccc2)on3)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.698 |
| logD: | 5.6978 |
| logSw: | -5.5725 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.958 |
| InChI Key: | WACCEGYIICGBDY-UHFFFAOYSA-N |