N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
Chemical Structure Depiction of
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
Compound characteristics
Compound ID: | E146-0959 |
Compound Name: | N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide |
Molecular Weight: | 452.55 |
Molecular Formula: | C24 H25 F N4 O2 S |
Smiles: | C(CNC(c1c2CSc3ccccc3c2on1)=O)CN1CCN(CC1)c1ccc(cc1)F |
Stereo: | ACHIRAL |
logP: | 3.5148 |
logD: | 2.971 |
logSw: | -3.9157 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.817 |
InChI Key: | QYRQEKPWDXQMQU-UHFFFAOYSA-N |