2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl 2,4-dinitrobenzoate
Chemical Structure Depiction of
2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl 2,4-dinitrobenzoate
2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl 2,4-dinitrobenzoate
Compound characteristics
| Compound ID: | 3405-0079 |
| Compound Name: | 2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl 2,4-dinitrobenzoate |
| Molecular Weight: | 575.19 |
| Molecular Formula: | C18 H13 Br2 N3 O7 S |
| Smiles: | C1COCCN1C(c1cc(c(c(c1)[Br])OC(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 4.9989 |
| logD: | 4.9989 |
| logSw: | -4.8783 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 97.109 |
| InChI Key: | MWMFTSXZXXNQME-UHFFFAOYSA-N |