methyl 3-{[2-(4-methoxyanilino)-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-methoxyanilino)-2-oxoethyl]sulfanyl}-9-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate
methyl 3-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-9-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate
Compound characteristics
| Compound ID: | C201-1877 |
| Compound Name: | methyl 3-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-9-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C19 H17 N5 O4 S2 |
| Smiles: | Cc1c2c3nnc(n3cnc2sc1C(=O)OC)SCC(Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9385 |
| logD: | 2.9381 |
| logSw: | -3.6145 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.036 |
| InChI Key: | ATDQQXLQRKZIMW-UHFFFAOYSA-N |