4-[(2-hydroxyethyl)sulfanyl]-2,6-dinitrobenzamide
Chemical Structure Depiction of
4-[(2-hydroxyethyl)sulfanyl]-2,6-dinitrobenzamide
4-[(2-hydroxyethyl)sulfanyl]-2,6-dinitrobenzamide
Compound characteristics
Compound ID: | 8015-0698 |
Compound Name: | 4-[(2-hydroxyethyl)sulfanyl]-2,6-dinitrobenzamide |
Molecular Weight: | 287.25 |
Molecular Formula: | C9 H9 N3 O6 S |
Smiles: | C(CSc1cc(c(C(N)=O)c(c1)[N+]([O-])=O)[N+]([O-])=O)O |
Stereo: | ACHIRAL |
logP: | -0.2867 |
logD: | -0.2926 |
logSw: | -1.3443 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 117.114 |
InChI Key: | BXGVLNSGNBSNQP-UHFFFAOYSA-N |