ethyl 4-{[1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-carbonyl]amino}benzoate
ethyl 4-{[1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D545-0156 |
| Compound Name: | ethyl 4-{[1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-carbonyl]amino}benzoate |
| Molecular Weight: | 495.54 |
| Molecular Formula: | C28 H25 N5 O4 |
| Smiles: | CCCc1c(C(Nc2ccc(cc2)C(=O)OCC)=O)nnn1c1ccc2c(c1)c(c1ccccc1)on2 |
| Stereo: | ACHIRAL |
| logP: | 6.2264 |
| logD: | 6.2232 |
| logSw: | -5.6314 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.92 |
| InChI Key: | JIGBWVIRJBKOFN-UHFFFAOYSA-N |