tert-butyl 6-amino-5,7-dicyano-8-(2-fluorophenyl)-3,8a-dihydroisoquinoline-2(1H)-carboxylate
Chemical Structure Depiction of
tert-butyl 6-amino-5,7-dicyano-8-(2-fluorophenyl)-3,8a-dihydroisoquinoline-2(1H)-carboxylate
tert-butyl 6-amino-5,7-dicyano-8-(2-fluorophenyl)-3,8a-dihydroisoquinoline-2(1H)-carboxylate
Compound characteristics
| Compound ID: | 8001-1135 |
| Compound Name: | tert-butyl 6-amino-5,7-dicyano-8-(2-fluorophenyl)-3,8a-dihydroisoquinoline-2(1H)-carboxylate |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C22 H21 F N4 O2 |
| Smiles: | CC(C)(C)OC(N1CC=C2C(C1)C(=C(C#N)C(=C2C#N)N)c1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7253 |
| logD: | 3.718 |
| logSw: | -4.2444 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.122 |
| InChI Key: | RNLCRKFIXFLIQR-KRWDZBQOSA-N |