N-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-nitrobenzene-1-sulfonamide
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 3706-0647 |
| Compound Name: | N-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 495.98 |
| Molecular Formula: | C22 H26 Cl N3 O6 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)S(N(CC(N1CCCCCC1)=O)c1cc(ccc1OC)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4534 |
| logD: | 4.4534 |
| logSw: | -4.6519 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.926 |
| InChI Key: | VDIVVDHOCCRBAG-UHFFFAOYSA-N |