4-methyl-N-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
Chemical Structure Depiction of
4-methyl-N-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
4-methyl-N-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
Compound characteristics
| Compound ID: | 8019-1603 |
| Compound Name: | 4-methyl-N-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide |
| Molecular Weight: | 474.46 |
| Molecular Formula: | C22 H17 F3 N4 O3 S |
| Smiles: | Cc1ccc(cc1)C(NC1(C2=C(NC1=O)N(C(NC2=O)=S)c1ccc(C)cc1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4113 |
| logD: | -0.3077 |
| logSw: | -3.7451 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.44 |
| InChI Key: | HYSNCSIDZTXBIP-NRFANRHFSA-N |