ethyl 2-{2-[3-(4-{[(4-methylphenyl)methyl]amino}-4-oxobutyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[3-(4-{[(4-methylphenyl)methyl]amino}-4-oxobutyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetamido}benzoate
ethyl 2-{2-[3-(4-{[(4-methylphenyl)methyl]amino}-4-oxobutyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C241-1375 |
| Compound Name: | ethyl 2-{2-[3-(4-{[(4-methylphenyl)methyl]amino}-4-oxobutyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 562.64 |
| Molecular Formula: | C29 H30 N4 O6 S |
| Smiles: | CCOC(c1ccccc1NC(CN1C(N(CCCC(NCc2ccc(C)cc2)=O)C(c2c1ccs2)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6546 |
| logD: | 3.6414 |
| logSw: | -3.7872 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.94 |
| InChI Key: | TZTDNWHYFNNHKO-UHFFFAOYSA-N |