N-butyl-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-butyl-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
N-butyl-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D443-2040 |
| Compound Name: | N-butyl-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 375.43 |
| Molecular Formula: | C21 H21 N5 O2 |
| Smiles: | CCCCNC(c1c(C)n(c2ccc3c(c2)c(c2ccccc2)on3)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0073 |
| logD: | 4.0073 |
| logSw: | -3.9767 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.091 |
| InChI Key: | IGXQMOZZNISGBH-UHFFFAOYSA-N |