N-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0048 |
| Compound Name: | N-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C24 H27 N3 O4 S |
| Smiles: | CC1=C(C(Nc2ccccc2C(N2CCN(CC2)c2ccc(cc2)OC)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.6611 |
| logD: | 1.8528 |
| logSw: | -3.456 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.355 |
| InChI Key: | GDKZNRNQSGLJIG-UHFFFAOYSA-N |