2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K292-0612 |
| Compound Name: | 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 539.63 |
| Molecular Formula: | C26 H25 N3 O6 S2 |
| Smiles: | COc1ccc(CCNC(CSC2=Nc3ccsc3C(N2Cc2ccc3c(c2)OCO3)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.231 |
| logD: | 3.231 |
| logSw: | -3.5465 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.479 |
| InChI Key: | AINZKMQPDLOTCY-UHFFFAOYSA-N |