ethyl 9-methyl-2-(2-nitrophenyl)thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Chemical Structure Depiction of
ethyl 9-methyl-2-(2-nitrophenyl)thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
ethyl 9-methyl-2-(2-nitrophenyl)thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Compound characteristics
| Compound ID: | Y500-4115 |
| Compound Name: | ethyl 9-methyl-2-(2-nitrophenyl)thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate |
| Molecular Weight: | 383.38 |
| Molecular Formula: | C17 H13 N5 O4 S |
| Smiles: | CCOC(c1c(C)c2c3nc(c4ccccc4[N+]([O-])=O)nn3cnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3326 |
| logD: | 3.329 |
| logSw: | -3.9911 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.954 |
| InChI Key: | NKYTXRHOFGSWRB-UHFFFAOYSA-N |