2-{[3-(3,4-dichlorophenyl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[3-(3,4-dichlorophenyl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
2-{[3-(3,4-dichlorophenyl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | C242-1063 |
| Compound Name: | 2-{[3-(3,4-dichlorophenyl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile |
| Molecular Weight: | 456.35 |
| Molecular Formula: | C22 H15 Cl2 N3 O2 S |
| Smiles: | Cc1c2C(N(C(N(Cc3ccccc3C#N)c2sc1C)=O)c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6033 |
| logD: | 5.6033 |
| logSw: | -6.026 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.163 |
| InChI Key: | DKQROBSKUMSHEU-UHFFFAOYSA-N |