6-amino-8-(2-chloro-6-fluorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-(2-chloro-6-fluorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-8-(2-chloro-6-fluorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
Compound ID: | 2434-0139 |
Compound Name: | 6-amino-8-(2-chloro-6-fluorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
Molecular Weight: | 395.87 |
Molecular Formula: | C21 H19 Cl F N5 |
Smiles: | CC(C)N1CC=C2C(C1)C(c1c(cccc1[Cl])F)C(C#N)(C#N)C(=C2C#N)N |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.1078 |
logD: | 3.1075 |
logSw: | -3.4249 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 76.153 |
InChI Key: | VZUGOUCWQLUUNX-UHFFFAOYSA-N |