6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-1,2,4-triazin-5(2H)-one
6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V018-0585 |
| Compound Name: | 6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 514.56 |
| Molecular Formula: | C29 H27 F N4 O4 |
| Salt: | not_available |
| Smiles: | COc1cc(ccc1OCc1cccc(c1)F)C1NN=C(CCC(N2CCc3ccccc3C2)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7269 |
| logD: | 3.7269 |
| logSw: | -4.0746 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.307 |
| InChI Key: | RIOJKIKLNMJSEI-UHFFFAOYSA-N |