N-benzyl-2-[3-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-ethylacetamide
Chemical Structure Depiction of
N-benzyl-2-[3-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-ethylacetamide
N-benzyl-2-[3-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-ethylacetamide
Compound characteristics
| Compound ID: | C241-1645 |
| Compound Name: | N-benzyl-2-[3-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-ethylacetamide |
| Molecular Weight: | 564.66 |
| Molecular Formula: | C29 H32 N4 O6 S |
| Smiles: | CCN(Cc1ccccc1)C(CN1C(N(CC(NCCc2ccc(c(c2)OC)OC)=O)C(c2c1ccs2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1932 |
| logD: | 2.1932 |
| logSw: | -2.8517 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.539 |
| InChI Key: | PTQWJMGNSVSVPM-UHFFFAOYSA-N |