2-(morpholine-4-carbothioyl)phenyl 2,4-dinitrobenzoate
Chemical Structure Depiction of
2-(morpholine-4-carbothioyl)phenyl 2,4-dinitrobenzoate
2-(morpholine-4-carbothioyl)phenyl 2,4-dinitrobenzoate
Compound characteristics
| Compound ID: | 3405-0158 |
| Compound Name: | 2-(morpholine-4-carbothioyl)phenyl 2,4-dinitrobenzoate |
| Molecular Weight: | 417.4 |
| Molecular Formula: | C18 H15 N3 O7 S |
| Smiles: | C1COCCN1C(c1ccccc1OC(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.157 |
| logD: | 3.157 |
| logSw: | -3.7308 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 97.022 |
| InChI Key: | IRYBJZCBJVYTBL-UHFFFAOYSA-N |