2-{[3-(3,4-dimethylphenyl)-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-dimethylphenyl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
2-{[3-(3,4-dimethylphenyl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | C200-0622 |
| Compound Name: | 2-{[3-(3,4-dimethylphenyl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C24 H21 N3 O2 S |
| Smiles: | Cc1ccc(cc1C)N1C(c2c(C)c(C)sc2N(Cc2ccccc2C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3969 |
| logD: | 5.3969 |
| logSw: | -5.471 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.163 |
| InChI Key: | VGGCAXCZVKUGCY-UHFFFAOYSA-N |