2-amino-7,7-dimethyl-5-oxo-4-[4-(propan-2-yl)phenyl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-5-oxo-4-[4-(propan-2-yl)phenyl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-7,7-dimethyl-5-oxo-4-[4-(propan-2-yl)phenyl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8003-3658 |
| Compound Name: | 2-amino-7,7-dimethyl-5-oxo-4-[4-(propan-2-yl)phenyl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 336.43 |
| Molecular Formula: | C21 H24 N2 O2 |
| Smiles: | CC(C)c1ccc(cc1)C1C(C#N)=C(N)OC2CC(C)(C)CC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6998 |
| logD: | 3.6998 |
| logSw: | -4.1952 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.602 |
| InChI Key: | AUFNUUDINXWMJU-GOSISDBHSA-N |