2-{[5,6-dimethyl-2,4-dioxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[5,6-dimethyl-2,4-dioxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
2-{[5,6-dimethyl-2,4-dioxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | C242-1043 |
| Compound Name: | 2-{[5,6-dimethyl-2,4-dioxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C24 H21 N3 O2 S |
| Smiles: | Cc1c2C(N(CCc3ccccc3)C(N(Cc3ccccc3C#N)c2sc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1186 |
| logD: | 5.1186 |
| logSw: | -5.0445 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.753 |
| InChI Key: | RVHNVRXIRSLKRN-UHFFFAOYSA-N |