4-[(4-bromophenyl)sulfanyl]-N-(2,2-dimethoxyethyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-[(4-bromophenyl)sulfanyl]-N-(2,2-dimethoxyethyl)-3-nitrobenzamide
4-[(4-bromophenyl)sulfanyl]-N-(2,2-dimethoxyethyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-5404 |
| Compound Name: | 4-[(4-bromophenyl)sulfanyl]-N-(2,2-dimethoxyethyl)-3-nitrobenzamide |
| Molecular Weight: | 441.3 |
| Molecular Formula: | C17 H17 Br N2 O5 S |
| Smiles: | COC(CNC(c1ccc(c(c1)[N+]([O-])=O)Sc1ccc(cc1)[Br])=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9223 |
| logD: | 3.9223 |
| logSw: | -4.2083 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.227 |
| InChI Key: | TYINCGUGGSQVIV-UHFFFAOYSA-N |