2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-3-nitro-4,6,7,8-tetrahydro-5H-1-benzopyran-5-one
Chemical Structure Depiction of
2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-3-nitro-4,6,7,8-tetrahydro-5H-1-benzopyran-5-one
2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-3-nitro-4,6,7,8-tetrahydro-5H-1-benzopyran-5-one
Compound characteristics
| Compound ID: | 8008-9497 |
| Compound Name: | 2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-3-nitro-4,6,7,8-tetrahydro-5H-1-benzopyran-5-one |
| Molecular Weight: | 374.39 |
| Molecular Formula: | C19 H22 N2 O6 |
| Smiles: | CC1(C)CC2=C(C(C(=C(N)O2)[N+]([O-])=O)c2ccc(c(c2)OC)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0541 |
| logD: | 2.0541 |
| logSw: | -2.675 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.106 |
| InChI Key: | HVLVHVWSNMHNIY-HNNXBMFYSA-N |