2-{[3-(3,5-dimethylphenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[3-(3,5-dimethylphenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
2-{[3-(3,5-dimethylphenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | C241-1201 |
| Compound Name: | 2-{[3-(3,5-dimethylphenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]methyl}benzonitrile |
| Molecular Weight: | 387.46 |
| Molecular Formula: | C22 H17 N3 O2 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(c2c(ccs2)N(Cc2ccccc2C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6108 |
| logD: | 4.6108 |
| logSw: | -4.4621 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.73 |
| InChI Key: | ROEUEIYBVHTPOA-UHFFFAOYSA-N |