rel-(4R,4aR)-2-amino-4-(2-chlorophenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Chemical Structure Depiction of
rel-(4R,4aR)-2-amino-4-(2-chlorophenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
rel-(4R,4aR)-2-amino-4-(2-chlorophenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8002-7364 |
| Compound Name: | rel-(4R,4aR)-2-amino-4-(2-chlorophenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile |
| Molecular Weight: | 334.81 |
| Molecular Formula: | C19 H15 Cl N4 |
| Smiles: | [H][C@@]12CCCC=C1C(C#N)=C([C@@](C#N)(C#N)[C@H]2c1ccccc1[Cl])N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6629 |
| logD: | 3.6628 |
| logSw: | -3.9847 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.355 |
| InChI Key: | HICFGKDBWVSVBZ-CXAGYDPISA-N |