2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 1852-0052 |
| Compound Name: | 2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 326.35 |
| Molecular Formula: | C18 H18 N2 O4 |
| Smiles: | COc1ccc(c(c1)C1C(C#N)=C(N)OC2CCCC(C1=2)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1107 |
| logD: | 2.1107 |
| logSw: | -3.0046 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.776 |
| InChI Key: | YIFKSGVWRUTYNU-MRXNPFEDSA-N |