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]-2-(2-oxopyrrolidin-1-yl)acetamide
Chemical Structure Depiction of
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]-2-(2-oxopyrrolidin-1-yl)acetamide
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]-2-(2-oxopyrrolidin-1-yl)acetamide
Compound characteristics
| Compound ID: | 7834-0072 |
| Compound Name: | 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]-2-(2-oxopyrrolidin-1-yl)acetamide |
| Molecular Weight: | 481.45 |
| Molecular Formula: | C20 H18 F3 N5 O4 S |
| Smiles: | Cc1cccc(c1)N1C2=C(C(NC1=S)=O)C(C(N2)=O)(C(F)(F)F)NC(CN1CCCC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.824 |
| logD: | -1.458 |
| logSw: | -2.4332 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.76 |
| InChI Key: | SWYSQJMQQVYOJP-IBGZPJMESA-N |