2-amino-7,7-dimethyl-5-oxo-4-(1,2,2,4-tetramethyl-1,2,3,4-tetrahydroquinolin-6-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-5-oxo-4-(1,2,2,4-tetramethyl-1,2,3,4-tetrahydroquinolin-6-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-7,7-dimethyl-5-oxo-4-(1,2,2,4-tetramethyl-1,2,3,4-tetrahydroquinolin-6-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y021-0882 |
| Compound Name: | 2-amino-7,7-dimethyl-5-oxo-4-(1,2,2,4-tetramethyl-1,2,3,4-tetrahydroquinolin-6-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 405.54 |
| Molecular Formula: | C25 H31 N3 O2 |
| Smiles: | CC1CC(C)(C)N(C)c2ccc(cc12)C1C(C#N)=C(N)OC2CC(C)(C)CC(C1=2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5457 |
| logD: | 1.5141 |
| logSw: | -4.0284 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.141 |
| InChI Key: | OITUOTRRXAYPNP-UHFFFAOYSA-N |