6-amino-2-benzyl-7,7-dicyano-8-(5-methylfuran-2-yl)-1,2,3,7,8,8a-hexahydroisoquinoline-5-carboxylic acid
Chemical Structure Depiction of
6-amino-2-benzyl-7,7-dicyano-8-(5-methylfuran-2-yl)-1,2,3,7,8,8a-hexahydroisoquinoline-5-carboxylic acid
6-amino-2-benzyl-7,7-dicyano-8-(5-methylfuran-2-yl)-1,2,3,7,8,8a-hexahydroisoquinoline-5-carboxylic acid
Compound characteristics
| Compound ID: | 8007-0228 |
| Compound Name: | 6-amino-2-benzyl-7,7-dicyano-8-(5-methylfuran-2-yl)-1,2,3,7,8,8a-hexahydroisoquinoline-5-carboxylic acid |
| Molecular Weight: | 414.46 |
| Molecular Formula: | C24 H22 N4 O3 |
| Smiles: | Cc1ccc(C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C(O)=O)Cc2ccccc2)o1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6085 |
| logD: | -1.521 |
| logSw: | -2.8828 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.273 |
| InChI Key: | QUFBAEASJZUGKG-UHFFFAOYSA-N |