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 |