2-amino-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8008-2100 |
| Compound Name: | 2-amino-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 384.43 |
| Molecular Formula: | C21 H24 N2 O5 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2cc(c(c(c2)OC)OC)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1605 |
| logD: | 2.1605 |
| logSw: | -2.4653 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.58 |
| InChI Key: | GTBMZBHGKCPEBM-QGZVFWFLSA-N |