N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[2-(2-fluoroanilino)-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-(2-fluoroanilino)-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-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Compound characteristics
| Compound ID: | C241-1340 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide |
| Molecular Weight: | 524.53 |
| Molecular Formula: | C25 H21 F N4 O6 S |
| Smiles: | C(CN1C(c2c(ccs2)N(CC(Nc2ccccc2F)=O)C1=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9094 |
| logD: | 2.9093 |
| logSw: | -3.3584 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.302 |
| InChI Key: | ZDOJJUPZMHSWMY-UHFFFAOYSA-N |