N-(4-{[3-(4-benzylpiperidin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(4-{[3-(4-benzylpiperidin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(4-{[3-(4-benzylpiperidin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0256 |
| Compound Name: | N-(4-{[3-(4-benzylpiperidin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 479.64 |
| Molecular Formula: | C27 H33 N3 O3 S |
| Smiles: | C(CNC(c1ccc(cc1)NC(C1=CSCCO1)=O)=O)CN1CCC(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.698 |
| logD: | 1.6635 |
| logSw: | -4.1282 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.924 |
| InChI Key: | BKUTVMDWIIOKSQ-UHFFFAOYSA-N |