2-{1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-{1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
2-{1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | C241-1713 |
| Compound Name: | 2-{1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 587.05 |
| Molecular Formula: | C27 H27 Cl N4 O7 S |
| Smiles: | COc1ccc(cc1NC(CN1C(N(CC(NCCc2ccc(c(c2)OC)OC)=O)C(c2c1ccs2)=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.5468 |
| logD: | 2.5433 |
| logSw: | -3.457 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.941 |
| InChI Key: | QXLYOJLJZVHZLT-UHFFFAOYSA-N |