propan-2-yl 2-methyl-5-[(3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-methyl-5-[(3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
propan-2-yl 2-methyl-5-[(3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 3461-0232 |
| Compound Name: | propan-2-yl 2-methyl-5-[(3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate |
| Molecular Weight: | 418.42 |
| Molecular Formula: | C19 H18 N2 O7 S |
| Smiles: | CC(C)OC(c1c2cc(ccc2oc1C)NS(c1cccc(c1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1328 |
| logD: | 3.6593 |
| logSw: | -4.379 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.65 |
| InChI Key: | VURWQJKABYVCFU-UHFFFAOYSA-N |