2-amino-7,7-dimethyl-4-(1-methyl-1H-pyrrol-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-4-(1-methyl-1H-pyrrol-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-7,7-dimethyl-4-(1-methyl-1H-pyrrol-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8001-8189 |
| Compound Name: | 2-amino-7,7-dimethyl-4-(1-methyl-1H-pyrrol-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 297.35 |
| Molecular Formula: | C17 H19 N3 O2 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2cccn2C)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9861 |
| logD: | 1.9861 |
| logSw: | -2.2146 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.019 |
| InChI Key: | SKQGDIRHJLTTRC-AWEZNQCLSA-N |