1-(2H-1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-3-(4-nitroanilino)propan-1-one
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-3-(4-nitroanilino)propan-1-one
1-(2H-1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-3-(4-nitroanilino)propan-1-one
Compound characteristics
| Compound ID: | 8017-5907 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-3-(4-nitroanilino)propan-1-one |
| Molecular Weight: | 446.5 |
| Molecular Formula: | C26 H26 N2 O5 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(CC(c1ccc2c(c1)OCO2)=O)Nc1ccc(cc1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8756 |
| logD: | 6.8756 |
| logSw: | -5.664 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.576 |
| InChI Key: | IPYMILWKSDRFAW-QFIPXVFZSA-N |