3-chloro-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]benzamide
Chemical Structure Depiction of
3-chloro-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]benzamide
3-chloro-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]benzamide
Compound characteristics
Compound ID: | 6165-0058 |
Compound Name: | 3-chloro-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]benzamide |
Molecular Weight: | 478.81 |
Molecular Formula: | C21 H14 Cl F3 N4 O4 |
Smiles: | Cc1ccc(cc1)N1C2=C(C(NC1=O)=O)C(C(N2)=O)(C(F)(F)F)NC(c1cccc(c1)[Cl])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.223 |
logD: | -1.7938 |
logSw: | -3.7099 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 89.602 |
InChI Key: | BRUHYGNXDXAQAM-FQEVSTJZSA-N |