4-(4-ethylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-(4-ethylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one
4-(4-ethylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C096-1483 |
| Compound Name: | 4-(4-ethylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 501.6 |
| Molecular Formula: | C30 H32 F N3 O3 |
| Smiles: | CCN1CCN(CC1)C(C1C(c2ccc(cc2)OC)N(Cc2ccc(cc2)F)C(c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8268 |
| logD: | 3.4183 |
| logSw: | -3.9326 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.38 |
| InChI Key: | NBSUMYIUXGURDO-UHFFFAOYSA-N |