7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-8001 |
| Compound Name: | 7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 389.41 |
| Molecular Formula: | C22 H19 N3 O4 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(n3cccc3)O2)c2cccc(c2)[N+]([O-])=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8487 |
| logD: | 3.8487 |
| logSw: | -4.1255 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.766 |
| InChI Key: | KPGKCOGOUJASIP-LJQANCHMSA-N |