2-{[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
2-{[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | L104-0347 |
| Compound Name: | 2-{[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide |
| Molecular Weight: | 474.62 |
| Molecular Formula: | C27 H30 N4 O2 S |
| Smiles: | CC(C)CCN1C(=Nc2c(cn(C)c2C1=O)c1ccccc1)SCC(Nc1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9587 |
| logD: | 4.9587 |
| logSw: | -4.3638 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.646 |
| InChI Key: | VDZBNQNMVOQRLE-UHFFFAOYSA-N |