2-amino-7,7-dimethyl-5-oxo-4-[4-(pyrrolidin-1-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-(pyrrolidin-1-yl)phenyl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-7,7-dimethyl-5-oxo-4-[4-(pyrrolidin-1-yl)phenyl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-4466 |
| Compound Name: | 2-amino-7,7-dimethyl-5-oxo-4-[4-(pyrrolidin-1-yl)phenyl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 363.46 |
| Molecular Formula: | C22 H25 N3 O2 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2ccc(cc2)N2CCCC2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1187 |
| logD: | 3.1184 |
| logSw: | -3.3485 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.421 |
| InChI Key: | MXZLEDYBRJAKBI-LJQANCHMSA-N |