3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-[2-(4-chlorophenyl)ethyl]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-(4-chlorophenyl)ethyl]propanamide
3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide
Compound characteristics
| Compound ID: | F084-0704 |
| 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-(4-chlorophenyl)ethyl]propanamide |
| Molecular Weight: | 457.98 |
| Molecular Formula: | C22 H24 Cl N5 O2 S |
| Smiles: | CCCCN1C(c2c(ccs2)n2c(CCC(NCCc3ccc(cc3)[Cl])=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1431 |
| logD: | 3.1431 |
| logSw: | -3.5622 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.288 |
| InChI Key: | GUXZOMJBWOAYFL-UHFFFAOYSA-N |