4-[(4-bromophenyl)sulfanyl]-N-heptyl-3-nitrobenzamide
Chemical Structure Depiction of
4-[(4-bromophenyl)sulfanyl]-N-heptyl-3-nitrobenzamide
4-[(4-bromophenyl)sulfanyl]-N-heptyl-3-nitrobenzamide
Compound characteristics
Compound ID: | K781-5397 |
Compound Name: | 4-[(4-bromophenyl)sulfanyl]-N-heptyl-3-nitrobenzamide |
Molecular Weight: | 451.38 |
Molecular Formula: | C20 H23 Br N2 O3 S |
Smiles: | CCCCCCCNC(c1ccc(c(c1)[N+]([O-])=O)Sc1ccc(cc1)[Br])=O |
Stereo: | ACHIRAL |
logP: | 7.1069 |
logD: | 7.1069 |
logSw: | -5.5759 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.574 |
InChI Key: | MPZPWXGJVLOIHN-UHFFFAOYSA-N |