4-[1-(2-amino-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]butanamide
Chemical Structure Depiction of
4-[1-(2-amino-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]butanamide
4-[1-(2-amino-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]butanamide
Compound characteristics
| Compound ID: | C241-1385 |
| Compound Name: | 4-[1-(2-amino-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]butanamide |
| Molecular Weight: | 444.46 |
| Molecular Formula: | C20 H20 N4 O6 S |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(c2c(ccs2)N(CC(N)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5203 |
| logD: | 0.5203 |
| logSw: | -2.2801 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.51 |
| InChI Key: | MQNJVIQVTVGYNH-UHFFFAOYSA-N |