N-(2-fluorophenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(2-fluorophenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-carboxamide
N-(2-fluorophenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D545-0144 |
| Compound Name: | N-(2-fluorophenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 441.46 |
| Molecular Formula: | C25 H20 F N5 O2 |
| Smiles: | CCCc1c(C(Nc2ccccc2F)=O)nnn1c1ccc2c(c1)c(c1ccccc1)on2 |
| Stereo: | ACHIRAL |
| logP: | 5.6033 |
| logD: | 5.5984 |
| logSw: | -5.5886 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.468 |
| InChI Key: | YKAHOJQOQQQMTA-UHFFFAOYSA-N |