4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-(3-methoxyphenyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-(3-methoxyphenyl)isoquinolin-1(2H)-one
4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-(3-methoxyphenyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-2194 |
| Compound Name: | 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-(3-methoxyphenyl)isoquinolin-1(2H)-one |
| Molecular Weight: | 457.49 |
| Molecular Formula: | C26 H23 N3 O5 |
| Smiles: | COc1cccc(c1)N1C=C(C(N2CCN(CC2)C(c2ccco2)=O)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.1397 |
| logD: | 2.1397 |
| logSw: | -2.7688 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.981 |
| InChI Key: | DOCNHSOACZRUJM-UHFFFAOYSA-N |