ethyl 5-methyl-2-(pentylsulfanyl)-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-2-(pentylsulfanyl)-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 5-methyl-2-(pentylsulfanyl)-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-1254 |
| Compound Name: | ethyl 5-methyl-2-(pentylsulfanyl)-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 392.54 |
| Molecular Formula: | C18 H24 N4 O2 S2 |
| Smiles: | CCCCCSc1nc2NC(C)=C(C(c3cccs3)n2n1)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1324 |
| logD: | 4.9091 |
| logSw: | -4.7497 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.543 |
| InChI Key: | UTFOILCQOPOOKD-HNNXBMFYSA-N |