2-ethoxy-4-(morpholine-4-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
Chemical Structure Depiction of
2-ethoxy-4-(morpholine-4-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
2-ethoxy-4-(morpholine-4-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 3405-0049 |
| Compound Name: | 2-ethoxy-4-(morpholine-4-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate |
| Molecular Weight: | 475.48 |
| Molecular Formula: | C21 H21 N3 O8 S |
| Smiles: | CCOc1cc(ccc1OC(c1cc(c(C)c(c1)[N+]([O-])=O)[N+]([O-])=O)=O)C(N1CCOCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 2.9993 |
| logD: | 2.9993 |
| logSw: | -3.4779 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 103.931 |
| InChI Key: | KJYTUIDNQZSPJQ-UHFFFAOYSA-N |