4-[1-{2-[cyclohexyl(methyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-[(4-methylphenyl)methyl]butanamide
Chemical Structure Depiction of
4-[1-{2-[cyclohexyl(methyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-[(4-methylphenyl)methyl]butanamide
4-[1-{2-[cyclohexyl(methyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-[(4-methylphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | C241-1383 |
| Compound Name: | 4-[1-{2-[cyclohexyl(methyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-[(4-methylphenyl)methyl]butanamide |
| Molecular Weight: | 510.66 |
| Molecular Formula: | C27 H34 N4 O4 S |
| Smiles: | Cc1ccc(CNC(CCCN2C(c3c(ccs3)N(CC(N(C)C3CCCCC3)=O)C2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1167 |
| logD: | 3.1167 |
| logSw: | -3.3887 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.681 |
| InChI Key: | DGYSTOLCQYOVOH-UHFFFAOYSA-N |