N-(2,5-dimethoxyphenyl)-4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carbothioamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carbothioamide
N-(2,5-dimethoxyphenyl)-4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y600-2838 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carbothioamide |
| Molecular Weight: | 459.53 |
| Molecular Formula: | C20 H25 N7 O4 S |
| Smiles: | CN1C(c2c(nc([nH]2)N2CCN(CC2)C(Nc2cc(ccc2OC)OC)=S)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4365 |
| logD: | 2.4359 |
| logSw: | -3.0832 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.637 |
| InChI Key: | KTWAGKNOLNVWDX-UHFFFAOYSA-N |