2-[(3-benzyl-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl)methyl]benzonitrile
Chemical Structure Depiction of
2-[(3-benzyl-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl)methyl]benzonitrile
2-[(3-benzyl-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | C242-0942 |
| Compound Name: | 2-[(3-benzyl-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl)methyl]benzonitrile |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C23 H19 N3 O2 S |
| Smiles: | Cc1c2C(N(Cc3ccccc3)C(N(Cc3ccccc3C#N)c2sc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9645 |
| logD: | 4.9645 |
| logSw: | -4.7619 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.775 |
| InChI Key: | JIIIYDOOSIMXHY-UHFFFAOYSA-N |