2-(benzylsulfanyl)-N-(4-bromophenyl)-4,6-dinitrobenzamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-N-(4-bromophenyl)-4,6-dinitrobenzamide
2-(benzylsulfanyl)-N-(4-bromophenyl)-4,6-dinitrobenzamide
Compound characteristics
Compound ID: | 8009-7200 |
Compound Name: | 2-(benzylsulfanyl)-N-(4-bromophenyl)-4,6-dinitrobenzamide |
Molecular Weight: | 488.31 |
Molecular Formula: | C20 H14 Br N3 O5 S |
Smiles: | C(c1ccccc1)Sc1cc(cc(c1C(Nc1ccc(cc1)[Br])=O)[N+]([O-])=O)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 5.4334 |
logD: | 4.6947 |
logSw: | -5.7292 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 89.52 |
InChI Key: | BVOKBVRVWIUXBI-UHFFFAOYSA-N |