4-[(4-bromophenyl)sulfanyl]-N-(3-ethoxypropyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-[(4-bromophenyl)sulfanyl]-N-(3-ethoxypropyl)-3-nitrobenzamide
4-[(4-bromophenyl)sulfanyl]-N-(3-ethoxypropyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-5405 |
| Compound Name: | 4-[(4-bromophenyl)sulfanyl]-N-(3-ethoxypropyl)-3-nitrobenzamide |
| Molecular Weight: | 439.33 |
| Molecular Formula: | C18 H19 Br N2 O4 S |
| Smiles: | CCOCCCNC(c1ccc(c(c1)[N+]([O-])=O)Sc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8696 |
| logD: | 4.8696 |
| logSw: | -4.6601 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.551 |
| InChI Key: | PRBXHVFUKFTOLI-UHFFFAOYSA-N |