2-methyl-N-{3-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-{3-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
2-methyl-N-{3-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0870 |
| Compound Name: | 2-methyl-N-{3-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C22 H24 N4 O3 S |
| Smiles: | CC1=C(C(Nc2cccc(c2)C(N2CCN(CC2)c2ccccn2)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.1592 |
| logD: | 2.1491 |
| logSw: | -2.9191 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.02 |
| InChI Key: | LIKIHMYGAWJIOX-UHFFFAOYSA-N |