2-methoxy-N-[1-(3-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
2-methoxy-N-[1-(3-methylphenyl)-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
2-methoxy-N-[1-(3-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: | 7834-0065 |
| Compound Name: | 2-methoxy-N-[1-(3-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: | 490.46 |
| Molecular Formula: | C22 H17 F3 N4 O4 S |
| Smiles: | Cc1cccc(c1)N1C2=C(C(NC1=S)=O)C(C(N2)=O)(C(F)(F)F)NC(c1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8879 |
| logD: | -2.0132 |
| logSw: | -3.7147 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.07 |
| InChI Key: | VNMVWIQJLSNVQK-NRFANRHFSA-N |