benzyl [3-(4-{[(4-methylphenyl)methyl]amino}-4-oxobutyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetate
Chemical Structure Depiction of
benzyl [3-(4-{[(4-methylphenyl)methyl]amino}-4-oxobutyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetate
benzyl [3-(4-{[(4-methylphenyl)methyl]amino}-4-oxobutyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetate
Compound characteristics
| Compound ID: | C241-1357 |
| Compound Name: | benzyl [3-(4-{[(4-methylphenyl)methyl]amino}-4-oxobutyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetate |
| Molecular Weight: | 505.59 |
| Molecular Formula: | C27 H27 N3 O5 S |
| Smiles: | Cc1ccc(CNC(CCCN2C(c3c(ccs3)N(CC(=O)OCc3ccccc3)C2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6817 |
| logD: | 3.6817 |
| logSw: | -3.8822 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.269 |
| InChI Key: | ZEJDJACTJHCHCX-UHFFFAOYSA-N |