ethyl 2-{[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 2-{[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carbonyl]amino}benzoate
ethyl 2-{[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D443-2049 |
| Compound Name: | ethyl 2-{[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carbonyl]amino}benzoate |
| Molecular Weight: | 467.48 |
| Molecular Formula: | C26 H21 N5 O4 |
| Smiles: | CCOC(c1ccccc1NC(c1c(C)n(c2ccc3c(c2)c(c2ccccc2)on3)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0699 |
| logD: | 4.7167 |
| logSw: | -4.7692 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.712 |
| InChI Key: | OVZKWVIAVVMUFH-UHFFFAOYSA-N |