1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(propylsulfanyl)propyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(propylsulfanyl)propyl]piperidine-4-carboxamide
1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(propylsulfanyl)propyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C797-0134 |
| Compound Name: | 1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(propylsulfanyl)propyl]piperidine-4-carboxamide |
| Molecular Weight: | 500.52 |
| Molecular Formula: | C21 H30 Br N3 O2 S2 |
| Smiles: | CCCSCCCNC(C1CCN(CC1)c1nc2cc(c(cc2s1)OCC)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9543 |
| logD: | 4.9525 |
| logSw: | -4.6144 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.963 |
| InChI Key: | RLDRXIBHZZUDNE-UHFFFAOYSA-N |