N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[2-(3,5-dimethylpiperidin-1-yl)-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-(3,5-dimethylpiperidin-1-yl)-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-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}butanamide
Compound characteristics
| Compound ID: | C241-1414 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}butanamide |
| Molecular Weight: | 540.64 |
| Molecular Formula: | C27 H32 N4 O6 S |
| Smiles: | CC1CC(C)CN(C1)C(CN1C(N(CCCC(NCc2ccc3c(c2)OCO3)=O)C(c2c1ccs2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7198 |
| logD: | 2.7198 |
| logSw: | -3.3454 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.11 |
| InChI Key: | BZDOOICPXVFDFB-UHFFFAOYSA-N |