2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl 3-nitrobenzoate
Chemical Structure Depiction of
2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl 3-nitrobenzoate
2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | 3405-0066 |
| Compound Name: | 2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl 3-nitrobenzoate |
| Molecular Weight: | 432.45 |
| Molecular Formula: | C20 H20 N2 O7 S |
| Smiles: | COc1cc(cc(c1OC(c1cccc(c1)[N+]([O-])=O)=O)OC)C(N1CCOCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.0203 |
| logD: | 3.0203 |
| logSw: | -3.436 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 79.289 |
| InChI Key: | BWFWIQADQNCFBQ-UHFFFAOYSA-N |