N-[1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,4-dichlorobenzamide
Chemical Structure Depiction of
N-[1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,4-dichlorobenzamide
N-[1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,4-dichlorobenzamide
Compound characteristics
| Compound ID: | 6165-0017 |
| Compound Name: | N-[1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,4-dichlorobenzamide |
| Molecular Weight: | 513.26 |
| Molecular Formula: | C21 H13 Cl2 F3 N4 O4 |
| Smiles: | C(c1ccccc1)N1C2=C(C(NC1=O)=O)C(C(N2)=O)(C(F)(F)F)NC(c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8595 |
| logD: | -1.5258 |
| logSw: | -4.5073 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.214 |
| InChI Key: | OHLMTMVIJJPTHW-FQEVSTJZSA-N |