(8S,8aR)-6-amino-8-[3-(methylsulfanyl)phenyl]-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
(8S,8aR)-6-amino-8-[3-(methylsulfanyl)phenyl]-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile--hydrogen chloride (1/1)
(8S,8aR)-6-amino-8-[3-(methylsulfanyl)phenyl]-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | Y508-0862 |
| Compound Name: | (8S,8aR)-6-amino-8-[3-(methylsulfanyl)phenyl]-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 425.98 |
| Molecular Formula: | C22 H23 N5 S |
| Salt: | HCl |
| Smiles: | [H][C@]12CN(CCC)CC=C1C(C#N)=C([C@](C#N)(C#N)[C@@H]2c1cccc(c1)SC)N |
| Stereo: | ABSOLUTE |
| logP: | 3.2692 |
| logD: | 3.2689 |
| logSw: | -3.2187 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.079 |
| InChI Key: | OGSLPWOKGZZRMP-VQTJNVASSA-N |