4-butyl-1-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-butyl-1-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-butyl-1-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F084-0741 |
| Compound Name: | 4-butyl-1-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 435.55 |
| Molecular Formula: | C23 H25 N5 O2 S |
| Smiles: | CCCCN1C(c2c(ccs2)n2c(CCC(N3CCc4ccccc4C3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.324 |
| logD: | 3.324 |
| logSw: | -3.5354 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.029 |
| InChI Key: | YSGXXQPUJNLBOK-UHFFFAOYSA-N |