N-(2,4-difluorophenyl)-2-{[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,4-difluorophenyl)-2-{[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
N-(2,4-difluorophenyl)-2-{[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L104-0678 |
| Compound Name: | N-(2,4-difluorophenyl)-2-{[3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 484.52 |
| Molecular Formula: | C24 H22 F2 N4 O3 S |
| Smiles: | Cn1cc(c2ccccc2)c2c1C(N(CCOC)C(=N2)SCC(Nc1ccc(cc1F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.322 |
| logD: | 3.317 |
| logSw: | -3.6742 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.989 |
| InChI Key: | XMQPWNBHJYXSAW-UHFFFAOYSA-N |