N-{2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-{2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-{2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
Compound ID: | E532-0041 |
Compound Name: | N-{2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
Molecular Weight: | 441.52 |
Molecular Formula: | C23 H24 F N3 O3 S |
Smiles: | CC1=C(C(Nc2ccccc2C(N2CCN(CC2)c2ccc(cc2)F)=O)=O)SCCO1 |
Stereo: | ACHIRAL |
logP: | 2.7078 |
logD: | 1.8995 |
logSw: | -3.4837 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 50.811 |
InChI Key: | CSEKPKPDFOMILO-UHFFFAOYSA-N |