3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(prop-2-en-1-yl)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-(prop-2-en-1-yl)propanamide
3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(prop-2-en-1-yl)propanamide
Compound characteristics
| Compound ID: | C200-7852 |
| Compound Name: | 3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(prop-2-en-1-yl)propanamide |
| Molecular Weight: | 359.45 |
| Molecular Formula: | C17 H21 N5 O2 S |
| Smiles: | CCCCN1C(c2c(ccs2)n2c(CCC(NCC=C)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5082 |
| logD: | 1.5082 |
| logSw: | -2.2839 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.559 |
| InChI Key: | PYGJJVTYBSWKHL-UHFFFAOYSA-N |