ethyl 3-{[N-(2,1,3-benzoxadiazole-4-sulfonyl)-beta-alanyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[N-(2,1,3-benzoxadiazole-4-sulfonyl)-beta-alanyl]amino}benzoate
ethyl 3-{[N-(2,1,3-benzoxadiazole-4-sulfonyl)-beta-alanyl]amino}benzoate
Compound characteristics
| Compound ID: | C105-1450 |
| Compound Name: | ethyl 3-{[N-(2,1,3-benzoxadiazole-4-sulfonyl)-beta-alanyl]amino}benzoate |
| Molecular Weight: | 418.43 |
| Molecular Formula: | C18 H18 N4 O6 S |
| Smiles: | CCOC(c1cccc(c1)NC(CCNS(c1cccc2c1non2)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1314 |
| logD: | 3.126 |
| logSw: | -3.4633 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.831 |
| InChI Key: | RBKJAXCDIWFBFK-UHFFFAOYSA-N |