2-amino-4-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 3132-1167 |
| Compound Name: | 2-amino-4-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 489.53 |
| Molecular Formula: | C27 H27 N3 O6 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)OCc1cc(ccc1OC)C1C(C#N)=C(N)OC2CC(C)(C)CC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2063 |
| logD: | 4.2063 |
| logSw: | -4.7703 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.541 |
| InChI Key: | NUQORQIJVNCVLA-XMMPIXPASA-N |