2-chloro-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-5-(thiomorpholine-4-sulfonyl)benzamide
Chemical Structure Depiction of
2-chloro-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-5-(thiomorpholine-4-sulfonyl)benzamide
2-chloro-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-5-(thiomorpholine-4-sulfonyl)benzamide
Compound characteristics
| Compound ID: | L586-1482 |
| Compound Name: | 2-chloro-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-5-(thiomorpholine-4-sulfonyl)benzamide |
| Molecular Weight: | 494.07 |
| Molecular Formula: | C23 H28 Cl N3 O3 S2 |
| Smiles: | C(CNC(c1cc(ccc1[Cl])S(N1CCSCC1)(=O)=O)=O)CN1CCc2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 3.7063 |
| logD: | 2.5564 |
| logSw: | -4.2354 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.849 |
| InChI Key: | HNAJHYOJDTWDKC-UHFFFAOYSA-N |