2-[1-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-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-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-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-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-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: | C241-1655 |
Compound Name: | 2-[1-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide |
Molecular Weight: | 580.62 |
Molecular Formula: | C28 H28 N4 O8 S |
Smiles: | COc1ccc(CCNC(CN2C(c3c(ccs3)N(CC(Nc3ccc4c(c3)OCCO4)=O)C2=O)=O)=O)cc1OC |
Stereo: | ACHIRAL |
logP: | 1.2665 |
logD: | 1.2665 |
logSw: | -2.4631 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 110.831 |
InChI Key: | JHYOMGPIKPXVKE-UHFFFAOYSA-N |