ethyl [(5-{[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(5-{[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
ethyl [(5-{[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 5436-0330 |
| Compound Name: | ethyl [(5-{[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate |
| Molecular Weight: | 486.64 |
| Molecular Formula: | C21 H22 N6 O2 S3 |
| Smiles: | CCOC(CSc1nnc(CSc2nc(c3c(C)c(C)sc3n2)N)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2321 |
| logD: | 4.2293 |
| logSw: | -4.5077 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.214 |
| InChI Key: | WMZSRLKAOKEYIJ-UHFFFAOYSA-N |