2-amino-7,7-dimethyl-5-oxo-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-5-oxo-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-7,7-dimethyl-5-oxo-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8002-6996 |
| Compound Name: | 2-amino-7,7-dimethyl-5-oxo-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C21 H22 N2 O3 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2ccc(cc2)OCC=C)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8947 |
| logD: | 2.8947 |
| logSw: | -3.3677 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.02 |
| InChI Key: | LGQRYWXLJFPLCR-GOSISDBHSA-N |