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 |