4-{[1-(2-{[(4-methoxyphenyl)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-{[(4-methoxyphenyl)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-{[(4-methoxyphenyl)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: | G346-0180 |
Compound Name: | 4-{[1-(2-{[(4-methoxyphenyl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}-N-methylcyclohexane-1-carboxamide |
Molecular Weight: | 498.6 |
Molecular Formula: | C25 H30 N4 O5 S |
Smiles: | CNC(C1CCC(CC1)CN1C(c2c(ccs2)N(CC(NCc2ccc(cc2)OC)=O)C1=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.8825 |
logD: | 2.8825 |
logSw: | -3.2982 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 89.328 |
InChI Key: | CLKVXHLBGFBNSH-UHFFFAOYSA-N |