N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | 8544-0657 |
| Compound Name: | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C21 H17 N7 O2 S |
| Smiles: | CCc1nnc(NC(c2c(C)n(c3ccc4c(c3)c(c3ccccc3)on4)nn2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.2945 |
| logD: | 3.5531 |
| logSw: | -4.2154 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.696 |
| InChI Key: | HKHAOFQLVOXEOO-UHFFFAOYSA-N |