N-(3-chloro-4-methoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-carboxamide
N-(3-chloro-4-methoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D545-0197 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 487.94 |
| Molecular Formula: | C26 H22 Cl N5 O3 |
| Smiles: | CCCc1c(C(Nc2ccc(c(c2)[Cl])OC)=O)nnn1c1ccc2c(c1)c(c1ccccc1)on2 |
| Stereo: | ACHIRAL |
| logP: | 6.1356 |
| logD: | 6.1254 |
| logSw: | -6.1894 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.797 |
| InChI Key: | DSDUSAMCESTUNJ-UHFFFAOYSA-N |