rel-(4R,4aR)-2-amino-6-phenyl-4-(thiophen-2-yl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Chemical Structure Depiction of
rel-(4R,4aR)-2-amino-6-phenyl-4-(thiophen-2-yl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
rel-(4R,4aR)-2-amino-6-phenyl-4-(thiophen-2-yl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8006-8571 |
| Compound Name: | rel-(4R,4aR)-2-amino-6-phenyl-4-(thiophen-2-yl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile |
| Molecular Weight: | 382.49 |
| Molecular Formula: | C23 H18 N4 S |
| Smiles: | [H][C@@]12CC(CC=C1C(C#N)=C(C(C#N)(C#N)[C@H]2c1cccs1)N)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6191 |
| logD: | 4.619 |
| logSw: | -4.6623 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.102 |
| InChI Key: | MCKRCQNHIRZESC-QHNQYTFYSA-N |