6-amino-7,7-dicyano-8-(furan-2-yl)-2-methyl-1,2,3,7,8,8a-hexahydroisoquinoline-5-carboxylic acid
Chemical Structure Depiction of
6-amino-7,7-dicyano-8-(furan-2-yl)-2-methyl-1,2,3,7,8,8a-hexahydroisoquinoline-5-carboxylic acid
6-amino-7,7-dicyano-8-(furan-2-yl)-2-methyl-1,2,3,7,8,8a-hexahydroisoquinoline-5-carboxylic acid
Compound characteristics
| Compound ID: | 8007-0221 |
| Compound Name: | 6-amino-7,7-dicyano-8-(furan-2-yl)-2-methyl-1,2,3,7,8,8a-hexahydroisoquinoline-5-carboxylic acid |
| Molecular Weight: | 324.34 |
| Molecular Formula: | C17 H16 N4 O3 |
| Smiles: | CN1CC=C2C(C1)C(c1ccco1)C(C#N)(C#N)C(=C2C(O)=O)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.5151 |
| logD: | -3.6143 |
| logSw: | -1.6062 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.696 |
| InChI Key: | RRRBINKRENZWKZ-UHFFFAOYSA-N |