2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
Chemical Structure Depiction of
2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 3405-0068 |
| Compound Name: | 2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate |
| Molecular Weight: | 491.48 |
| Molecular Formula: | C21 H21 N3 O9 S |
| Smiles: | Cc1c(cc(cc1[N+]([O-])=O)C(=O)Oc1c(cc(cc1OC)C(N1CCOCC1)=S)OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7214 |
| logD: | 2.7214 |
| logSw: | -3.2455 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 112.068 |
| InChI Key: | AYMMYZDHJQLGIS-UHFFFAOYSA-N |