N-[1-methyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[1-methyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-nitrobenzamide
N-[1-methyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 8019-1458 |
| Compound Name: | N-[1-methyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-nitrobenzamide |
| Molecular Weight: | 413.27 |
| Molecular Formula: | C15 H10 F3 N5 O6 |
| Smiles: | CN1C2=C(C(NC1=O)=O)C(C(N2)=O)(C(F)(F)F)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7726 |
| logD: | -3.8718 |
| logSw: | -2.2412 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 123.632 |
| InChI Key: | INXIGLRRBPJKMO-AWEZNQCLSA-N |