4-(4-chlorophenyl)-2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
4-(4-chlorophenyl)-2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0979 |
| Compound Name: | 4-(4-chlorophenyl)-2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 464.93 |
| Molecular Formula: | C23 H17 Cl N4 O3 S |
| Smiles: | C(CCSC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O)CN1C(c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.121 |
| logD: | 0.5526 |
| logSw: | -4.6966 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.941 |
| InChI Key: | MYXMNAOLBFGDNQ-UHFFFAOYSA-N |