ethyl 4-(2-amino-7,7-dimethyl-3-nitro-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(2-amino-7,7-dimethyl-3-nitro-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)benzoate
ethyl 4-(2-amino-7,7-dimethyl-3-nitro-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)benzoate
Compound characteristics
| Compound ID: | Y500-0325 |
| Compound Name: | ethyl 4-(2-amino-7,7-dimethyl-3-nitro-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)benzoate |
| Molecular Weight: | 386.4 |
| Molecular Formula: | C20 H22 N2 O6 |
| Smiles: | CCOC(c1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)OC(=C1[N+]([O-])=O)N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0007 |
| logD: | 3.0007 |
| logSw: | -3.3968 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.599 |
| InChI Key: | DGTOOUAIRFQOHL-HNNXBMFYSA-N |