methyl 3-({1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 3-({1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carbonyl}amino)benzoate
methyl 3-({1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | D443-1953 |
| Compound Name: | methyl 3-({1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carbonyl}amino)benzoate |
| Molecular Weight: | 487.9 |
| Molecular Formula: | C25 H18 Cl N5 O4 |
| Smiles: | Cc1c(C(Nc2cccc(c2)C(=O)OC)=O)nnn1c1ccc2c(c1)c(c1ccc(cc1)[Cl])on2 |
| Stereo: | ACHIRAL |
| logP: | 5.5746 |
| logD: | 5.5743 |
| logSw: | -6.1476 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.83 |
| InChI Key: | LLNCREFLZMRBPM-UHFFFAOYSA-N |