3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-[(3-chloro-4-fluorophenyl)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-[(3-chloro-4-fluorophenyl)methyl]propanamide
3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-[(3-chloro-4-fluorophenyl)methyl]propanamide
Compound characteristics
| Compound ID: | C200-8503 |
| 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-chloro-4-fluorophenyl)methyl]propanamide |
| Molecular Weight: | 461.94 |
| Molecular Formula: | C21 H21 Cl F N5 O2 S |
| Smiles: | CCCCN1C(c2c(ccs2)n2c(CCC(NCc3ccc(c(c3)[Cl])F)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3885 |
| logD: | 3.3885 |
| logSw: | -3.7646 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.446 |
| InChI Key: | FASLKGIQKHVCQB-UHFFFAOYSA-N |