pentyl 2-methyl-5-[(4-methyl-3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
pentyl 2-methyl-5-[(4-methyl-3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
pentyl 2-methyl-5-[(4-methyl-3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 5591-3704 |
| Compound Name: | pentyl 2-methyl-5-[(4-methyl-3-nitrobenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylate |
| Molecular Weight: | 460.5 |
| Molecular Formula: | C22 H24 N2 O7 S |
| Smiles: | CCCCCOC(c1c2cc(ccc2oc1C)NS(c1ccc(C)c(c1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8674 |
| logD: | 5.394 |
| logSw: | -5.3987 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.964 |
| InChI Key: | MVENOIDKNNLBBP-UHFFFAOYSA-N |