diethyl N-[1-(2-methylprop-2-en-1-yl)-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]phosphoramidate
Chemical Structure Depiction of
diethyl N-[1-(2-methylprop-2-en-1-yl)-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]phosphoramidate
diethyl N-[1-(2-methylprop-2-en-1-yl)-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]phosphoramidate
Compound characteristics
| Compound ID: | 8018-9075 |
| Compound Name: | diethyl N-[1-(2-methylprop-2-en-1-yl)-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]phosphoramidate |
| Molecular Weight: | 456.38 |
| Molecular Formula: | C15 H20 F3 N4 O5 P S |
| Smiles: | CCOP(NC1(C2=C(NC1=O)N(CC(C)=C)C(NC2=O)=S)C(F)(F)F)(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5626 |
| logD: | 1.5625 |
| logSw: | -2.2537 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.747 |
| InChI Key: | XURBWTGJOLHRHK-AWEZNQCLSA-N |