2-amino-7,7-dimethyl-4-{4-[(4-methylphenyl)methoxy]-3-nitrophenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-4-{4-[(4-methylphenyl)methoxy]-3-nitrophenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-7,7-dimethyl-4-{4-[(4-methylphenyl)methoxy]-3-nitrophenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y508-8255 |
| Compound Name: | 2-amino-7,7-dimethyl-4-{4-[(4-methylphenyl)methoxy]-3-nitrophenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 459.5 |
| Molecular Formula: | C26 H25 N3 O5 |
| Smiles: | Cc1ccc(COc2ccc(cc2[N+]([O-])=O)C2C(C#N)=C(N)OC3CC(C)(C)CC(C2=3)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9875 |
| logD: | 3.9875 |
| logSw: | -4.5145 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.997 |
| InChI Key: | SWVFAZFGDUSADV-HSZRJFAPSA-N |