2-{[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
2-{[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | C200-0585 |
| Compound Name: | 2-{[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C24 H21 N3 O3 S |
| Smiles: | CCOc1ccc(cc1)N1C(c2c(C)c(C)sc2N(Cc2ccccc2C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6333 |
| logD: | 4.6333 |
| logSw: | -4.5301 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.287 |
| InChI Key: | BLMVDBUYPULPEG-UHFFFAOYSA-N |