Nalpha-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-N-(4-nitrophenyl)phenylalaninamide
Chemical Structure Depiction of
Nalpha-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-N-(4-nitrophenyl)phenylalaninamide
Nalpha-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-N-(4-nitrophenyl)phenylalaninamide
Compound characteristics
| Compound ID: | 4533-0260 |
| Compound Name: | Nalpha-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-N-(4-nitrophenyl)phenylalaninamide |
| Molecular Weight: | 439.42 |
| Molecular Formula: | C22 H21 N3 O7 |
| Smiles: | CC1(C)OC(C(=CNC(Cc2ccccc2)C(Nc2ccc(cc2)[N+]([O-])=O)=O)C(=O)O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7033 |
| logD: | 2.6632 |
| logSw: | -3.2225 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.47 |
| InChI Key: | IWTSUGWNTGHYJS-SFHVURJKSA-N |