2-{[3-(3-methoxyphenyl)-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-methoxyphenyl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
2-{[3-(3-methoxyphenyl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | C200-0594 |
| Compound Name: | 2-{[3-(3-methoxyphenyl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile |
| Molecular Weight: | 417.49 |
| Molecular Formula: | C23 H19 N3 O3 S |
| Smiles: | Cc1c2C(N(C(N(Cc3ccccc3C#N)c2sc1C)=O)c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4282 |
| logD: | 4.4282 |
| logSw: | -4.5816 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.707 |
| InChI Key: | LFHVLCKOBQSHBI-UHFFFAOYSA-N |