4-butyl-1-[3-oxo-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-butyl-1-[3-oxo-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-butyl-1-[3-oxo-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F084-0745 |
| Compound Name: | 4-butyl-1-[3-oxo-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 461.59 |
| Molecular Formula: | C25 H27 N5 O2 S |
| Smiles: | CCCCN1C(c2c(ccs2)n2c(CCC(N3CCC(=CC3)c3ccccc3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9336 |
| logD: | 3.9336 |
| logSw: | -3.7648 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.096 |
| InChI Key: | BKHJJJMXCRBKQE-UHFFFAOYSA-N |