butyl 2-methyl-5-[(4-methyl-3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
butyl 2-methyl-5-[(4-methyl-3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
butyl 2-methyl-5-[(4-methyl-3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 5591-3707 |
| Compound Name: | butyl 2-methyl-5-[(4-methyl-3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C21 H22 N2 O7 S |
| Smiles: | CCCCOC(c1c2cc(ccc2oc1C)NS(c1ccc(C)c(c1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3172 |
| logD: | 4.8438 |
| logSw: | -5.4832 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.964 |
| InChI Key: | BGCYRLBZZNVBQP-UHFFFAOYSA-N |