3-(morpholine-4-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
Chemical Structure Depiction of
3-(morpholine-4-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
3-(morpholine-4-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 3405-0141 |
| Compound Name: | 3-(morpholine-4-carbothioyl)phenyl 4-methyl-3,5-dinitrobenzoate |
| Molecular Weight: | 431.42 |
| Molecular Formula: | C19 H17 N3 O7 S |
| Smiles: | Cc1c(cc(cc1[N+]([O-])=O)C(=O)Oc1cccc(c1)C(N1CCOCC1)=S)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8612 |
| logD: | 2.8612 |
| logSw: | -3.4526 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 96.634 |
| InChI Key: | CGOPXBZJVUGHRM-UHFFFAOYSA-N |