N-[1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexanecarboxamide
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]cyclohexanecarboxamide
N-[1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexanecarboxamide
Compound characteristics
| Compound ID: | 7591-0456 |
| 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]cyclohexanecarboxamide |
| Molecular Weight: | 450.42 |
| Molecular Formula: | C21 H21 F3 N4 O4 |
| Smiles: | C1CCC(CC1)C(NC1(C2=C(NC1=O)N(Cc1ccccc1)C(NC2=O)=O)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8948 |
| logD: | 0.2527 |
| logSw: | -3.2147 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.406 |
| InChI Key: | BMLPETBEZSXYHD-FQEVSTJZSA-N |