4-(azepane-1-carbonyl)-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-(azepane-1-carbonyl)-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
4-(azepane-1-carbonyl)-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C096-1148 |
| Compound Name: | 4-(azepane-1-carbonyl)-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C24 H28 N2 O3 |
| Smiles: | CN1C(C(C(N2CCCCCC2)=O)c2ccccc2C1=O)c1ccc(cc1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4653 |
| logD: | 3.4653 |
| logSw: | -3.6326 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.211 |
| InChI Key: | LMSQIADOFBNFOS-UHFFFAOYSA-N |