5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-phenyl-3-(propan-2-yl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Chemical Structure Depiction of
5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-phenyl-3-(propan-2-yl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-phenyl-3-(propan-2-yl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | L105-0081 |
| Compound Name: | 5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-phenyl-3-(propan-2-yl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
| Molecular Weight: | 403.55 |
| Molecular Formula: | C24 H25 N3 O S |
| Smiles: | CC(C)N1C(=Nc2c(cn(C)c2C1=O)c1ccccc1)SCc1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5041 |
| logD: | 5.5041 |
| logSw: | -5.3311 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.937 |
| InChI Key: | XBAQQKIUAYDZMD-UHFFFAOYSA-N |