benzyl [3-(6-{[(4-methylphenyl)methyl]amino}-6-oxohexyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetate
Chemical Structure Depiction of
benzyl [3-(6-{[(4-methylphenyl)methyl]amino}-6-oxohexyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetate
benzyl [3-(6-{[(4-methylphenyl)methyl]amino}-6-oxohexyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetate
Compound characteristics
| Compound ID: | C241-2024 |
| Compound Name: | benzyl [3-(6-{[(4-methylphenyl)methyl]amino}-6-oxohexyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetate |
| Molecular Weight: | 533.65 |
| Molecular Formula: | C29 H31 N3 O5 S |
| Smiles: | Cc1ccc(CNC(CCCCCN2C(c3c(ccs3)N(CC(=O)OCc3ccccc3)C2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6918 |
| logD: | 4.6918 |
| logSw: | -4.4142 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.269 |
| InChI Key: | VKYZBEGGBNLESF-UHFFFAOYSA-N |