4-(3-aminophenyl)-2-methoxy-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
4-(3-aminophenyl)-2-methoxy-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
4-(3-aminophenyl)-2-methoxy-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8005-5760 |
| Compound Name: | 4-(3-aminophenyl)-2-methoxy-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 324.38 |
| Molecular Formula: | C19 H20 N2 O3 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(OC)O2)c2cccc(c2)N)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1298 |
| logD: | 2.1297 |
| logSw: | -2.6549 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.595 |
| InChI Key: | VRNHKICOIDFRCE-MRXNPFEDSA-N |