2-(morpholine-4-carbothioyl)phenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
2-(morpholine-4-carbothioyl)phenyl 3,5-dinitrobenzoate
2-(morpholine-4-carbothioyl)phenyl 3,5-dinitrobenzoate
Compound characteristics
Compound ID: | 3405-0165 |
Compound Name: | 2-(morpholine-4-carbothioyl)phenyl 3,5-dinitrobenzoate |
Molecular Weight: | 417.4 |
Molecular Formula: | C18 H15 N3 O7 S |
Smiles: | C1COCCN1C(c1ccccc1OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=S |
Stereo: | ACHIRAL |
logP: | 2.8823 |
logD: | 2.8823 |
logSw: | -3.6241 |
Hydrogen bond acceptors count: | 14 |
Polar surface area: | 97.323 |
InChI Key: | LBBMDXXYVMWJBD-UHFFFAOYSA-N |