pentyl 5-[(4-chloro-3-nitrobenzene-1-sulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
pentyl 5-[(4-chloro-3-nitrobenzene-1-sulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate
pentyl 5-[(4-chloro-3-nitrobenzene-1-sulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 5591-0468 |
| Compound Name: | pentyl 5-[(4-chloro-3-nitrobenzene-1-sulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate |
| Molecular Weight: | 480.92 |
| Molecular Formula: | C21 H21 Cl N2 O7 S |
| Smiles: | CCCCCOC(c1c2cc(ccc2oc1C)NS(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7344 |
| logD: | 4.9423 |
| logSw: | -6.1985 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.964 |
| InChI Key: | JRWRGKALYVCOBD-UHFFFAOYSA-N |