4-bromo-2-(morpholine-4-carbothioyl)phenyl 2,4-dinitrobenzoate
Chemical Structure Depiction of
4-bromo-2-(morpholine-4-carbothioyl)phenyl 2,4-dinitrobenzoate
4-bromo-2-(morpholine-4-carbothioyl)phenyl 2,4-dinitrobenzoate
Compound characteristics
| Compound ID: | 3405-0088 |
| Compound Name: | 4-bromo-2-(morpholine-4-carbothioyl)phenyl 2,4-dinitrobenzoate |
| Molecular Weight: | 496.29 |
| Molecular Formula: | C18 H14 Br N3 O7 S |
| Smiles: | C1COCCN1C(c1cc(ccc1OC(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 4.0528 |
| logD: | 4.0528 |
| logSw: | -4.2855 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 97.022 |
| InChI Key: | KWDGCDXUEMCCOQ-UHFFFAOYSA-N |