4-({1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carbonyl}amino)benzoic acid
Chemical Structure Depiction of
4-({1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carbonyl}amino)benzoic acid
4-({1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carbonyl}amino)benzoic acid
Compound characteristics
| Compound ID: | D443-1749 |
| Compound Name: | 4-({1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carbonyl}amino)benzoic acid |
| Molecular Weight: | 473.87 |
| Molecular Formula: | C24 H16 Cl N5 O4 |
| Smiles: | Cc1c(C(Nc2ccc(cc2)C(O)=O)=O)nnn1c1ccc2c(c1)c(c1ccc(cc1)[Cl])on2 |
| Stereo: | ACHIRAL |
| logP: | 5.1515 |
| logD: | 2.7563 |
| logSw: | -5.3794 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.064 |
| InChI Key: | VZRLWVVOUGEJJF-UHFFFAOYSA-N |