N-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0867 |
| Compound Name: | N-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 436.57 |
| Molecular Formula: | C25 H28 N2 O3 S |
| Smiles: | CC1=C(C(Nc2cccc(c2)C(N2CCC(CC2)Cc2ccccc2)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.8272 |
| logD: | 3.8259 |
| logSw: | -4.0191 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.977 |
| InChI Key: | KRFCFHQCGHOIPT-UHFFFAOYSA-N |