3-(4-ethylphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3-(4-ethylphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
3-(4-ethylphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C201-0591 |
| Compound Name: | 3-(4-ethylphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 451.59 |
| Molecular Formula: | C28 H25 N3 O S |
| Smiles: | CCc1ccc(cc1)N1C(=Nc2c(C1=O)c(c[nH]2)c1ccccc1)SCc1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 7.2028 |
| logD: | 7.2026 |
| logSw: | -5.7339 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.62 |
| InChI Key: | KMKTYFJABXGSKA-UHFFFAOYSA-N |