methyl 4-[3-(2,1,3-benzoxadiazole-4-sulfonyl)propanamido]benzoate
Chemical Structure Depiction of
methyl 4-[3-(2,1,3-benzoxadiazole-4-sulfonyl)propanamido]benzoate
methyl 4-[3-(2,1,3-benzoxadiazole-4-sulfonyl)propanamido]benzoate
Compound characteristics
| Compound ID: | C105-0539 |
| Compound Name: | methyl 4-[3-(2,1,3-benzoxadiazole-4-sulfonyl)propanamido]benzoate |
| Molecular Weight: | 389.38 |
| Molecular Formula: | C17 H15 N3 O6 S |
| Smiles: | COC(c1ccc(cc1)NC(CCS(c1cccc2c1non2)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5759 |
| logD: | 2.575 |
| logSw: | -2.9081 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.416 |
| InChI Key: | DFLMEWVSEUIXBK-UHFFFAOYSA-N |