2-methoxy-5-(morpholine-4-carbothioyl)phenyl 2,4-dinitrobenzoate
Chemical Structure Depiction of
2-methoxy-5-(morpholine-4-carbothioyl)phenyl 2,4-dinitrobenzoate
2-methoxy-5-(morpholine-4-carbothioyl)phenyl 2,4-dinitrobenzoate
Compound characteristics
Compound ID: | 3405-0113 |
Compound Name: | 2-methoxy-5-(morpholine-4-carbothioyl)phenyl 2,4-dinitrobenzoate |
Molecular Weight: | 447.42 |
Molecular Formula: | C19 H17 N3 O8 S |
Smiles: | COc1ccc(cc1OC(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O)C(N1CCOCC1)=S |
Stereo: | ACHIRAL |
logP: | 3.3676 |
logD: | 3.3676 |
logSw: | -3.8592 |
Hydrogen bond acceptors count: | 15 |
Polar surface area: | 104.652 |
InChI Key: | WXPDIRVYHNMMSI-UHFFFAOYSA-N |