N~2~-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-N-(4-nitrophenyl)alaninamide
Chemical Structure Depiction of
N~2~-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-N-(4-nitrophenyl)alaninamide
N~2~-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-N-(4-nitrophenyl)alaninamide
Compound characteristics
| Compound ID: | 4533-0258 |
| Compound Name: | N~2~-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-N-(4-nitrophenyl)alaninamide |
| Molecular Weight: | 363.32 |
| Molecular Formula: | C16 H17 N3 O7 |
| Smiles: | CC(C(Nc1ccc(cc1)[N+]([O-])=O)=O)NC=C1C(=O)OC(C)(C)OC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2786 |
| logD: | 1.271 |
| logSw: | -2.3354 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.275 |
| InChI Key: | GQRAGGBISTVDQS-VIFPVBQESA-N |