3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
Chemical Structure Depiction of
3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
Compound characteristics
| Compound ID: | F084-0703 |
| Compound Name: | 3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C23 H27 N5 O5 S |
| Smiles: | CCCCN1C(c2c(ccs2)n2c(CCC(Nc3cc(c(c(c3)OC)OC)OC)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.454 |
| logD: | 2.4533 |
| logSw: | -3.1205 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.102 |
| InChI Key: | MSXUTVSEHJHJIU-UHFFFAOYSA-N |