N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-{2-[methyl(phenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-{2-[methyl(phenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-{2-[methyl(phenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]butanamide
Compound characteristics
| Compound ID: | C241-1423 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-{2-[methyl(phenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]butanamide |
| Molecular Weight: | 534.59 |
| Molecular Formula: | C27 H26 N4 O6 S |
| Smiles: | CN(C(CN1C(N(CCCC(NCc2ccc3c(c2)OCO3)=O)C(c2c1ccs2)=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.0513 |
| logD: | 2.0513 |
| logSw: | -2.8751 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.964 |
| InChI Key: | VVULUFHGCLLUQV-UHFFFAOYSA-N |