4-({2,4-dioxo-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-({2,4-dioxo-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide
4-({2,4-dioxo-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | G346-0214 |
| Compound Name: | 4-({2,4-dioxo-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C25 H30 N4 O5 S |
| Smiles: | C1CCN(C1)C(CN1C(N(CC2CCC(CC2)C(NCc2ccco2)=O)C(c2c1ccs2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2319 |
| logD: | 3.2319 |
| logSw: | -3.3178 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.398 |
| InChI Key: | SMXIUFKLGNWWPM-UHFFFAOYSA-N |