4-{3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbonyl}-2-(4-methoxyphenyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-{3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbonyl}-2-(4-methoxyphenyl)isoquinolin-1(2H)-one
4-{3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbonyl}-2-(4-methoxyphenyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-1663 |
| Compound Name: | 4-{3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbonyl}-2-(4-methoxyphenyl)isoquinolin-1(2H)-one |
| Molecular Weight: | 481.59 |
| Molecular Formula: | C30 H31 N3 O3 |
| Smiles: | Cc1ccc(C)c(CN2CCCN(C2)C(C2=CN(C(c3ccccc23)=O)c2ccc(cc2)OC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7836 |
| logD: | 4.7378 |
| logSw: | -4.5263 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.227 |
| InChI Key: | CQTBXWXCJAPXGJ-UHFFFAOYSA-N |