ethyl 4-[3-(2,1,3-benzoxadiazole-4-sulfonyl)propanamido]benzoate
Chemical Structure Depiction of
ethyl 4-[3-(2,1,3-benzoxadiazole-4-sulfonyl)propanamido]benzoate
ethyl 4-[3-(2,1,3-benzoxadiazole-4-sulfonyl)propanamido]benzoate
Compound characteristics
| Compound ID: | C105-0466 |
| Compound Name: | ethyl 4-[3-(2,1,3-benzoxadiazole-4-sulfonyl)propanamido]benzoate |
| Molecular Weight: | 403.41 |
| Molecular Formula: | C18 H17 N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CCS(c1cccc2c1non2)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0865 |
| logD: | 3.0856 |
| logSw: | -3.4346 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.996 |
| InChI Key: | JNNYOLXQBLBHAB-UHFFFAOYSA-N |