2-methoxy-4-(morpholine-4-carbothioyl)phenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
2-methoxy-4-(morpholine-4-carbothioyl)phenyl 3,5-dinitrobenzoate
2-methoxy-4-(morpholine-4-carbothioyl)phenyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 3405-0027 |
| Compound Name: | 2-methoxy-4-(morpholine-4-carbothioyl)phenyl 3,5-dinitrobenzoate |
| Molecular Weight: | 447.42 |
| Molecular Formula: | C19 H17 N3 O8 S |
| Smiles: | COc1cc(ccc1OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)C(N1CCOCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 2.9421 |
| logD: | 2.9421 |
| logSw: | -3.47 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 104.953 |
| InChI Key: | ZSXVCAIRBVEXGR-UHFFFAOYSA-N |