2-{[3-(2H-1,3-benzodioxol-5-yl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[3-(2H-1,3-benzodioxol-5-yl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
2-{[3-(2H-1,3-benzodioxol-5-yl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | C242-1122 |
| Compound Name: | 2-{[3-(2H-1,3-benzodioxol-5-yl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C23 H17 N3 O4 S |
| Smiles: | Cc1c2C(N(C(N(Cc3ccccc3C#N)c2sc1C)=O)c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2202 |
| logD: | 4.2202 |
| logSw: | -4.4556 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.279 |
| InChI Key: | DHCDHSASKZYNDM-UHFFFAOYSA-N |