N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide
Compound characteristics
| Compound ID: | F084-0694 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C22 H23 N5 O4 S |
| Smiles: | CCCCN1C(c2c(ccs2)n2c(CCC(NCc3ccc4c(c3)OCO4)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6868 |
| logD: | 2.6868 |
| logSw: | -3.1499 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.562 |
| InChI Key: | MVLSBYWJLXIFPO-UHFFFAOYSA-N |