2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]sulfanyl}-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]sulfanyl}-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]sulfanyl}-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0275 |
| Compound Name: | 2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]sulfanyl}-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C23 H18 N4 O3 S |
| Smiles: | Cc1ccc(cc1)C1=C(C#N)C(NC(=N1)SCCCN1C(c2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5788 |
| logD: | 0.0104 |
| logSw: | -3.7055 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.941 |
| InChI Key: | XNWITPUPYOBGMM-UHFFFAOYSA-N |