2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0171 |
| Compound Name: | 2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 416.46 |
| Molecular Formula: | C22 H16 N4 O3 S |
| Smiles: | C(CN1C(c2ccccc2C1=O)=O)CSC1NC(C(C#N)=C(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0504 |
| logD: | -0.518 |
| logSw: | -3.6781 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.941 |
| InChI Key: | ABFWRDFWTDFGNX-UHFFFAOYSA-N |