2-amino-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8011-9068 |
| Compound Name: | 2-amino-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 399.4 |
| Molecular Formula: | C20 H21 N3 O6 |
| Smiles: | CCOc1cc(cc(c1O)[N+]([O-])=O)C1C(C#N)=C(N)OC2CC(C)(C)CC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.657 |
| logD: | 2.4777 |
| logSw: | -2.8097 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 115.372 |
| InChI Key: | NWQDNQOXIZHQAQ-MRXNPFEDSA-N |