2-methoxy-5-(morpholine-4-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
Chemical Structure Depiction of
2-methoxy-5-(morpholine-4-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
2-methoxy-5-(morpholine-4-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 3405-0121 |
| Compound Name: | 2-methoxy-5-(morpholine-4-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate |
| Molecular Weight: | 461.45 |
| Molecular Formula: | C20 H19 N3 O8 S |
| Smiles: | Cc1c(cc(cc1[N+]([O-])=O)C(=O)Oc1cc(ccc1OC)C(N1CCOCC1)=S)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0045 |
| logD: | 3.0045 |
| logSw: | -3.5178 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 104.351 |
| InChI Key: | WRVRXSXUPNJCAC-UHFFFAOYSA-N |