1-(6-bromo-1,3-benzothiazol-2-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-(6-bromo-1,3-benzothiazol-2-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}piperidine-4-carboxamide
1-(6-bromo-1,3-benzothiazol-2-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}piperidine-4-carboxamide
Compound characteristics
Compound ID: | C797-0046 |
Compound Name: | 1-(6-bromo-1,3-benzothiazol-2-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}piperidine-4-carboxamide |
Molecular Weight: | 490.48 |
Molecular Formula: | C22 H24 Br N3 O S2 |
Smiles: | CSc1ccc(CCNC(C2CCN(CC2)c2nc3ccc(cc3s2)[Br])=O)cc1 |
Stereo: | ACHIRAL |
logP: | 5.4568 |
logD: | 5.4537 |
logSw: | -5.3819 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 37.481 |
InChI Key: | LFJPOKXTJYVUIW-UHFFFAOYSA-N |