methyl 5-methyl-2-{[5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carbonyl]amino}thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-methyl-2-{[5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carbonyl]amino}thiophene-3-carboxylate
methyl 5-methyl-2-{[5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carbonyl]amino}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y505-2969 |
| Compound Name: | methyl 5-methyl-2-{[5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carbonyl]amino}thiophene-3-carboxylate |
| Molecular Weight: | 438.42 |
| Molecular Formula: | C19 H14 N6 O5 S |
| Smiles: | Cc1cc(C(=O)OC)c(NC(c2cc(c3cccc(c3)[N+]([O-])=O)nc3ncnn23)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.4241 |
| logD: | 1.9069 |
| logSw: | -3.8596 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.163 |
| InChI Key: | DRFJCIXQDHMSMS-UHFFFAOYSA-N |