methyl 3-{[2-(4-acetylanilino)-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-acetylanilino)-2-oxoethyl]sulfanyl}-9-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate
methyl 3-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-9-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate
Compound characteristics
| Compound ID: | C201-1880 |
| Compound Name: | methyl 3-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-9-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate |
| Molecular Weight: | 455.51 |
| Molecular Formula: | C20 H17 N5 O4 S2 |
| Smiles: | CC(c1ccc(cc1)NC(CSc1nnc2c3c(C)c(C(=O)OC)sc3ncn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4982 |
| logD: | 2.4976 |
| logSw: | -2.7707 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.319 |
| InChI Key: | WUUNGEAULNHYHK-UHFFFAOYSA-N |