2-amino-4-(2-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(2-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 3132-0292 |
| Compound Name: | 2-amino-4-(2-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 328.8 |
| Molecular Formula: | C18 H17 Cl N2 O2 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2ccccc2[Cl])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1732 |
| logD: | 3.1732 |
| logSw: | -3.5902 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.602 |
| InChI Key: | XQKMEIFXCAEVTM-OAHLLOKOSA-N |