N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[2,4-dioxo-1-(2-oxo-2-phenylethyl)-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[2,4-dioxo-1-(2-oxo-2-phenylethyl)-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[2,4-dioxo-1-(2-oxo-2-phenylethyl)-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide
Compound characteristics
| Compound ID: | C241-1523 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[2,4-dioxo-1-(2-oxo-2-phenylethyl)-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide |
| Molecular Weight: | 533.6 |
| Molecular Formula: | C28 H27 N3 O6 S |
| Smiles: | C(CCC(NCc1ccc2c(c1)OCO2)=O)CCN1C(c2c(ccs2)N(CC(c2ccccc2)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7248 |
| logD: | 3.7248 |
| logSw: | -4.0681 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.098 |
| InChI Key: | GANDECVLOYAJOP-UHFFFAOYSA-N |