4-bromo-2-(morpholine-4-carbothioyl)phenyl 3-nitrobenzoate
Chemical Structure Depiction of
4-bromo-2-(morpholine-4-carbothioyl)phenyl 3-nitrobenzoate
4-bromo-2-(morpholine-4-carbothioyl)phenyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | 3405-0094 |
| Compound Name: | 4-bromo-2-(morpholine-4-carbothioyl)phenyl 3-nitrobenzoate |
| Molecular Weight: | 451.29 |
| Molecular Formula: | C18 H15 Br N2 O5 S |
| Smiles: | C1COCCN1C(c1cc(ccc1OC(c1cccc(c1)[N+]([O-])=O)=O)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 3.9886 |
| logD: | 3.9886 |
| logSw: | -4.2784 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.941 |
| InChI Key: | JTHICNYLOODTLV-UHFFFAOYSA-N |