pentyl 5-[(2-chloro-5-nitrobenzene-1-sulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
pentyl 5-[(2-chloro-5-nitrobenzene-1-sulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate
pentyl 5-[(2-chloro-5-nitrobenzene-1-sulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 5591-0470 |
| Compound Name: | pentyl 5-[(2-chloro-5-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(c1cc(ccc1[Cl])[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6631 |
| logD: | 5.1897 |
| logSw: | -6.1913 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.265 |
| InChI Key: | FGRPPTNBCDHZSA-UHFFFAOYSA-N |