2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl}-N-[(4-methylphenyl)methyl]acetamide
2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C688-1465 |
| Compound Name: | 2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 487.55 |
| Molecular Formula: | C27 H22 F N3 O3 S |
| Smiles: | Cc1ccc(CNC(CN2C(N(Cc3ccc(cc3)F)C(c3c2c2ccccc2s3)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2349 |
| logD: | 5.2349 |
| logSw: | -5.1935 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.642 |
| InChI Key: | DTWXABAASWWIGM-UHFFFAOYSA-N |