6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-3-[4-(2-ethoxyethoxy)-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-(2-ethoxyethoxy)-3-methoxyphenyl]-1,2,4-triazin-5(2H)-one
6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-3-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V025-6531 |
| Compound Name: | 6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-3-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 478.55 |
| Molecular Formula: | C26 H30 N4 O5 |
| Smiles: | CCOCCOc1ccc(cc1OC)C1NN=C(CCC(N2CCc3ccccc3C2)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2591 |
| logD: | 2.2591 |
| logSw: | -2.8581 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.475 |
| InChI Key: | IOPFTOLEQRNQCA-UHFFFAOYSA-N |