methyl 3-{[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carbonyl]amino}benzoate
methyl 3-{[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D443-1950 |
| Compound Name: | methyl 3-{[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carbonyl]amino}benzoate |
| Molecular Weight: | 453.46 |
| Molecular Formula: | C25 H19 N5 O4 |
| Smiles: | Cc1c(C(Nc2cccc(c2)C(=O)OC)=O)nnn1c1ccc2c(c1)c(c1ccccc1)on2 |
| Stereo: | ACHIRAL |
| logP: | 4.8748 |
| logD: | 4.8746 |
| logSw: | -4.7953 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.83 |
| InChI Key: | VQUVIUWJESONTG-UHFFFAOYSA-N |