2-(4-ethoxyphenyl)-6,7-dimethoxy-4-(4-phenylpiperazine-1-carbonyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-(4-ethoxyphenyl)-6,7-dimethoxy-4-(4-phenylpiperazine-1-carbonyl)isoquinolin-1(2H)-one
2-(4-ethoxyphenyl)-6,7-dimethoxy-4-(4-phenylpiperazine-1-carbonyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C080-0056 |
| Compound Name: | 2-(4-ethoxyphenyl)-6,7-dimethoxy-4-(4-phenylpiperazine-1-carbonyl)isoquinolin-1(2H)-one |
| Molecular Weight: | 513.59 |
| Molecular Formula: | C30 H31 N3 O5 |
| Smiles: | CCOc1ccc(cc1)N1C=C(C(N2CCN(CC2)c2ccccc2)=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9907 |
| logD: | 3.9907 |
| logSw: | -4.1444 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.048 |
| InChI Key: | CXPYZQCNRDWTBV-UHFFFAOYSA-N |