N-benzyl-4-{[1-(2-{[(2,3-dimethoxyphenyl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-benzyl-4-{[1-(2-{[(2,3-dimethoxyphenyl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}cyclohexane-1-carboxamide
N-benzyl-4-{[1-(2-{[(2,3-dimethoxyphenyl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C200-5183 |
| Compound Name: | N-benzyl-4-{[1-(2-{[(2,3-dimethoxyphenyl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 604.73 |
| Molecular Formula: | C32 H36 N4 O6 S |
| Smiles: | COc1cccc(CNC(CN2C(N(CC3CCC(CC3)C(NCc3ccccc3)=O)C(c3c2ccs3)=O)=O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 4.4905 |
| logD: | 4.4905 |
| logSw: | -4.3979 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.71 |
| InChI Key: | CYMNWXLFFDXKNI-UHFFFAOYSA-N |