4-bromo-2-(morpholine-4-carbothioyl)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-bromo-2-(morpholine-4-carbothioyl)phenyl 4-acetamidobenzene-1-sulfonate
4-bromo-2-(morpholine-4-carbothioyl)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8013-9550 |
| Compound Name: | 4-bromo-2-(morpholine-4-carbothioyl)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 499.4 |
| Molecular Formula: | C19 H19 Br N2 O5 S2 |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1C(N1CCOCC1)=S)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1091 |
| logD: | 3.109 |
| logSw: | -3.533 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.205 |
| InChI Key: | LJXDPEIGFNNXOS-UHFFFAOYSA-N |