3-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
3-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
3-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | F216-0197 |
| Compound Name: | 3-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide |
| Molecular Weight: | 480.8 |
| Molecular Formula: | C21 H13 Cl F4 N4 O3 |
| Smiles: | Cn1cc(C(Nc2ccc(c(c2)C(F)(F)F)F)=O)c2c1C(N(C(N2)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6637 |
| logD: | 3.1562 |
| logSw: | -4.3084 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.405 |
| InChI Key: | KJOMYRFGCOEOOM-UHFFFAOYSA-N |