4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxyisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxyisoquinolin-1(2H)-one
4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxyisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C066-1395 |
| Compound Name: | 4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxyisoquinolin-1(2H)-one |
| Molecular Weight: | 463.53 |
| Molecular Formula: | C26 H29 N3 O5 |
| Smiles: | CCN1C=C(C(N2CCN(CC2)c2ccc(cc2)C(C)=O)=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.2852 |
| logD: | 2.2852 |
| logSw: | -2.7373 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.193 |
| InChI Key: | ABIOYYPLFPXVQL-UHFFFAOYSA-N |