ethyl 2-{2-[(8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[(8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamido}benzoate
ethyl 2-{2-[(8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | C201-1516 |
| Compound Name: | ethyl 2-{2-[(8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C20 H19 N5 O3 S2 |
| Smiles: | CCOC(c1ccccc1NC(CSc1nnc2c3c(C)c(C)sc3ncn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6253 |
| logD: | 3.6117 |
| logSw: | -3.9536 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.374 |
| InChI Key: | NSSYXHYKMWZGKZ-UHFFFAOYSA-N |