N-(4-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(4-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(4-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0261 |
| Compound Name: | N-(4-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C24 H27 N3 O3 S |
| Smiles: | C(CNC(c1ccc(cc1)NC(C1=CSCCO1)=O)=O)CN1CCc2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 2.6165 |
| logD: | 1.4666 |
| logSw: | -3.1544 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.858 |
| InChI Key: | MGWFNKNGWLAQIS-UHFFFAOYSA-N |