2-(5-chlorothiophen-2-yl)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]quinoline-4-carboxamide
Chemical Structure Depiction of
2-(5-chlorothiophen-2-yl)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]quinoline-4-carboxamide
2-(5-chlorothiophen-2-yl)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | C228-0374 |
| Compound Name: | 2-(5-chlorothiophen-2-yl)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]quinoline-4-carboxamide |
| Molecular Weight: | 447.99 |
| Molecular Formula: | C25 H22 Cl N3 O S |
| Smiles: | C1CN(CCNC(c2cc(c3ccc(s3)[Cl])nc3ccccc23)=O)Cc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.0186 |
| logD: | 5.9048 |
| logSw: | -6.1777 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.215 |
| InChI Key: | ZTSKAXBPQPFBIK-UHFFFAOYSA-N |