N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-4-carboxamide
Chemical Structure Depiction of
N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-4-carboxamide
N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-4-carboxamide
Compound characteristics
| Compound ID: | 8013-3178 |
| Compound Name: | N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-4-carboxamide |
| Molecular Weight: | 445.36 |
| Molecular Formula: | C20 H14 F3 N5 O4 |
| Smiles: | Cc1ccc(cc1)N1C2=C(C(NC1=O)=O)C(C(N2)=O)(C(F)(F)F)NC(c1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3112 |
| logD: | -3.5344 |
| logSw: | -1.4137 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.03 |
| InChI Key: | LXZWANOZNMYUCL-IBGZPJMESA-N |