N-methyl-4-{[1-(2-{[(4-methylphenyl)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-methyl-4-{[1-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}cyclohexane-1-carboxamide
N-methyl-4-{[1-(2-{[(4-methylphenyl)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: | G346-0155 |
| Compound Name: | N-methyl-4-{[1-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 482.6 |
| Molecular Formula: | C25 H30 N4 O4 S |
| Smiles: | Cc1ccc(CNC(CN2C(N(CC3CCC(CC3)C(NC)=O)C(c3c2ccs3)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3235 |
| logD: | 3.3235 |
| logSw: | -3.4158 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.784 |
| InChI Key: | HCFVFUPNGNRUOF-UHFFFAOYSA-N |