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]benzamide
Chemical Structure Depiction of
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]benzamide
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]benzamide
Compound characteristics
| Compound ID: | 7834-0185 |
| Compound Name: | 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]benzamide |
| Molecular Weight: | 424.4 |
| Molecular Formula: | C18 H15 F3 N4 O3 S |
| Smiles: | CC(=C)CN1C2=C(C(NC1=S)=O)C(C(N2)=O)(C(F)(F)F)NC(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4236 |
| logD: | -0.5835 |
| logSw: | -2.8986 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.323 |
| InChI Key: | BNBDTVMQVVAURN-KRWDZBQOSA-N |