N-(4-butylphenyl)-1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(4-butylphenyl)-1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carboxamide
N-(4-butylphenyl)-1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D443-1976 |
| Compound Name: | N-(4-butylphenyl)-1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 485.97 |
| Molecular Formula: | C27 H24 Cl N5 O2 |
| Smiles: | CCCCc1ccc(cc1)NC(c1c(C)n(c2ccc3c(c2)c(c2ccc(cc2)[Cl])on3)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2725 |
| logD: | 7.2724 |
| logSw: | -6.4147 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.656 |
| InChI Key: | ODKFYEAAKBKNKW-UHFFFAOYSA-N |