N-[4,6-dioxo-1-(2-phenylethyl)-2-sulfanylidene-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
Chemical Structure Depiction of
N-[4,6-dioxo-1-(2-phenylethyl)-2-sulfanylidene-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
N-[4,6-dioxo-1-(2-phenylethyl)-2-sulfanylidene-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
Compound characteristics
| Compound ID: | 7834-0061 |
| Compound Name: | N-[4,6-dioxo-1-(2-phenylethyl)-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: | C(CN1C2=C(C(NC1=S)=O)C(C(N2)=O)(C(F)(F)F)NC(c1ccccc1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0342 |
| logD: | 0.0271 |
| logSw: | -3.4898 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.03 |
| InChI Key: | GGHYZSMEXFDHSR-NRFANRHFSA-N |