N-[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]thiophene-2-carboxamide
N-[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | 6259-6523 |
| Compound Name: | N-[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]thiophene-2-carboxamide |
| Molecular Weight: | 470.81 |
| Molecular Formula: | C18 H10 Cl F3 N4 O4 S |
| Smiles: | c1cc(C(NC2(C3=C(NC2=O)N(C(NC3=O)=O)c2ccc(cc2)[Cl])C(F)(F)F)=O)sc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6442 |
| logD: | -0.5764 |
| logSw: | -3.6143 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.62 |
| InChI Key: | JVNQSRWJJBGCFA-KRWDZBQOSA-N |