N-{3-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-{3-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-{3-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0373 |
| Compound Name: | N-{3-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C21 H22 N4 O3 S |
| Smiles: | C1CN(CCN1C(c1cccc(c1)NC(C1=CSCCO1)=O)=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 2.2993 |
| logD: | 2.2899 |
| logSw: | -2.9447 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.378 |
| InChI Key: | GOHHIAZSJPEMKC-UHFFFAOYSA-N |