2-amino-4-(2,3-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2,3-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(2,3-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-0125 |
| Compound Name: | 2-amino-4-(2,3-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 326.35 |
| Molecular Formula: | C18 H18 N2 O4 |
| Smiles: | COc1cccc(C2C(C#N)=C(N)OC3CCCC(C2=3)=O)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7969 |
| logD: | 1.7969 |
| logSw: | -2.2989 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.95 |
| InChI Key: | YJCZZJCTOVOUEU-OAHLLOKOSA-N |