4-amino-7,7-dimethyl-2-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-2H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
4-amino-7,7-dimethyl-2-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-2H-1-benzopyran-3-carbonitrile
4-amino-7,7-dimethyl-2-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-2H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 4199-0003 |
| Compound Name: | 4-amino-7,7-dimethyl-2-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-2H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 339.35 |
| Molecular Formula: | C18 H17 N3 O4 |
| Smiles: | CC1(C)CC2=C(C(=C(C#N)C(c3ccc(cc3)[N+]([O-])=O)O2)N)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3954 |
| logD: | 2.3952 |
| logSw: | -2.5977 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.423 |
| InChI Key: | WUBUUSIWVBRWER-KRWDZBQOSA-N |