methyl 9-methyl-3-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate
Chemical Structure Depiction of
methyl 9-methyl-3-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate
methyl 9-methyl-3-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate
Compound characteristics
| Compound ID: | C201-1878 |
| Compound Name: | methyl 9-methyl-3-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C19 H17 N5 O3 S2 |
| Smiles: | Cc1ccc(cc1)NC(CSc1nnc2c3c(C)c(C(=O)OC)sc3ncn12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3795 |
| logD: | 3.3791 |
| logSw: | -3.9345 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.492 |
| InChI Key: | MYIAIJGOXCJHHU-UHFFFAOYSA-N |