N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[1-{2-[methyl(phenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[1-{2-[methyl(phenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[1-{2-[methyl(phenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]propanamide
Compound characteristics
| Compound ID: | C241-1341 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[1-{2-[methyl(phenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]propanamide |
| Molecular Weight: | 520.56 |
| Molecular Formula: | C26 H24 N4 O6 S |
| Smiles: | CN(C(CN1C(N(CCC(NCc2ccc3c(c2)OCO3)=O)C(c2c1ccs2)=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3045 |
| logD: | 2.3045 |
| logSw: | -2.9468 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.964 |
| InChI Key: | YERZLKHVCRNNTQ-UHFFFAOYSA-N |