4-{[1-(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}-N-methylcyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[1-(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}-N-methylcyclohexane-1-carboxamide
4-{[1-(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}-N-methylcyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | G346-0136 |
| Compound Name: | 4-{[1-(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}-N-methylcyclohexane-1-carboxamide |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C22 H26 N4 O5 S |
| Smiles: | CNC(C1CCC(CC1)CN1C(c2c(ccs2)N(CC(NCc2ccco2)=O)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6508 |
| logD: | 2.6508 |
| logSw: | -2.913 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.533 |
| InChI Key: | PCMAQHMFQGOCMF-UHFFFAOYSA-N |