N-{2-chloro-5-methoxy-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-{2-chloro-5-methoxy-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-{2-chloro-5-methoxy-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2774 |
| Compound Name: | N-{2-chloro-5-methoxy-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 488.99 |
| Molecular Formula: | C23 H25 Cl N4 O4 S |
| Smiles: | CC1=C(C(Nc2cc(c(cc2[Cl])C(N2CCN(CC2)c2ccccn2)=O)OC)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.2528 |
| logD: | 0.3723 |
| logSw: | -3.6283 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.953 |
| InChI Key: | BGCXQUOXSSUZEZ-UHFFFAOYSA-N |