N-(4-{[3-(4-benzylpiperidin-1-yl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(4-{[3-(4-benzylpiperidin-1-yl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(4-{[3-(4-benzylpiperidin-1-yl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1650 |
| Compound Name: | N-(4-{[3-(4-benzylpiperidin-1-yl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 493.67 |
| Molecular Formula: | C28 H35 N3 O3 S |
| Smiles: | CC1=C(C(Nc2ccc(cc2)C(NCCCN2CCC(CC2)Cc2ccccc2)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.558 |
| logD: | 3.558 |
| logSw: | -3.8661 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.566 |
| InChI Key: | PULZCBAQUPDXKQ-UHFFFAOYSA-N |