3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-[(2-chlorophenyl)methyl]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-[(2-chlorophenyl)methyl]propanamide
3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-[(2-chlorophenyl)methyl]propanamide
Compound characteristics
| Compound ID: | F084-0692 |
| Compound Name: | 3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-[(2-chlorophenyl)methyl]propanamide |
| Molecular Weight: | 443.95 |
| Molecular Formula: | C21 H22 Cl N5 O2 S |
| Smiles: | CCCCN1C(c2c(ccs2)n2c(CCC(NCc3ccccc3[Cl])=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5557 |
| logD: | 3.5557 |
| logSw: | -3.6663 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.446 |
| InChI Key: | BPBVNWXAEKZTBQ-UHFFFAOYSA-N |