2-chloro-N-[1-(4-methoxyphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
Chemical Structure Depiction of
2-chloro-N-[1-(4-methoxyphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
2-chloro-N-[1-(4-methoxyphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
Compound characteristics
| Compound ID: | 8013-5778 |
| Compound Name: | 2-chloro-N-[1-(4-methoxyphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide |
| Molecular Weight: | 494.81 |
| Molecular Formula: | C21 H14 Cl F3 N4 O5 |
| Smiles: | COc1ccc(cc1)N1C2=C(C(NC1=O)=O)C(C(N2)=O)(C(F)(F)F)NC(c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5744 |
| logD: | -2.4834 |
| logSw: | -3.5209 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.146 |
| InChI Key: | SHYBMGAMYPXAGA-FQEVSTJZSA-N |