2-methyl-N-(3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-(3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
2-methyl-N-(3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
Compound ID: | E532-0868 |
Compound Name: | 2-methyl-N-(3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide |
Molecular Weight: | 491.53 |
Molecular Formula: | C24 H24 F3 N3 O3 S |
Smiles: | CC1=C(C(Nc2cccc(c2)C(N2CCN(CC2)c2cccc(c2)C(F)(F)F)=O)=O)SCCO1 |
Stereo: | ACHIRAL |
logP: | 3.2924 |
logD: | 3.291 |
logSw: | -3.5901 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.509 |
InChI Key: | AOQMWHVPZDBOLP-UHFFFAOYSA-N |