tert-butyl 6-amino-5,7,7-tricyano-8-(furan-3-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Chemical Structure Depiction of
tert-butyl 6-amino-5,7,7-tricyano-8-(furan-3-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
tert-butyl 6-amino-5,7,7-tricyano-8-(furan-3-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Compound characteristics
| Compound ID: | 8008-3004 |
| Compound Name: | tert-butyl 6-amino-5,7,7-tricyano-8-(furan-3-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C21 H21 N5 O3 |
| Smiles: | CC(C)(C)OC(N1CC=C2C(C1)C(c1ccoc1)C(C#N)(C#N)C(=C2C#N)N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9044 |
| logD: | 2.9043 |
| logSw: | -3.2939 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.981 |
| InChI Key: | XKGMYZMREOPCPI-UHFFFAOYSA-N |