2-amino-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 4111-3909 |
| Compound Name: | 2-amino-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 308.38 |
| Molecular Formula: | C19 H20 N2 O2 |
| Smiles: | Cc1ccccc1C1C(C#N)=C(N)OC2CC(C)(C)CC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9612 |
| logD: | 2.9612 |
| logSw: | -3.295 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.602 |
| InChI Key: | QRSPRYZQNBWNDS-MRXNPFEDSA-N |