6-amino-8-(2-chlorophenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-(2-chlorophenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-8-(2-chlorophenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8008-1782 |
| Compound Name: | 6-amino-8-(2-chlorophenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 377.88 |
| Molecular Formula: | C21 H20 Cl N5 |
| Smiles: | CCCN1CC=C2C(C1)C(c1ccccc1[Cl])C(C#N)(C#N)C(=C2C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3431 |
| logD: | 3.3429 |
| logSw: | -3.5541 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.079 |
| InChI Key: | FIBCZOKUUCHZNF-UHFFFAOYSA-N |