methyl 3-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-9-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate
Chemical Structure Depiction of
methyl 3-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-9-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate
methyl 3-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-9-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate
Compound characteristics
| Compound ID: | C201-1881 |
| Compound Name: | methyl 3-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-9-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C20 H19 N5 O3 S2 |
| Smiles: | CCc1ccc(cc1)NC(CSc1nnc2c3c(C)c(C(=O)OC)sc3ncn12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8868 |
| logD: | 3.8863 |
| logSw: | -4.0996 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.492 |
| InChI Key: | AJVFGKBHVGFSHO-UHFFFAOYSA-N |