methyl 7-(3-methylbutyl)-6-oxo-2-(thiophen-2-yl)-6,7-dihydropyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidine-9-carboxylate
Chemical Structure Depiction of
methyl 7-(3-methylbutyl)-6-oxo-2-(thiophen-2-yl)-6,7-dihydropyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidine-9-carboxylate
methyl 7-(3-methylbutyl)-6-oxo-2-(thiophen-2-yl)-6,7-dihydropyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidine-9-carboxylate
Compound characteristics
| Compound ID: | Y021-2495 |
| Compound Name: | methyl 7-(3-methylbutyl)-6-oxo-2-(thiophen-2-yl)-6,7-dihydropyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidine-9-carboxylate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C19 H19 N5 O3 S |
| Smiles: | CC(C)CCN1C=C(C2=C(C=Nc3nc(c4cccs4)nn23)C1=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.1023 |
| logD: | 3.1023 |
| logSw: | -3.1453 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.322 |
| InChI Key: | YMCYRNRYUGYKIX-UHFFFAOYSA-N |