4-{3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbonyl}-2-(4-methoxyphenyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-{3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbonyl}-2-(4-methoxyphenyl)isoquinolin-1(2H)-one
4-{3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbonyl}-2-(4-methoxyphenyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-1647 |
| Compound Name: | 4-{3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbonyl}-2-(4-methoxyphenyl)isoquinolin-1(2H)-one |
| Molecular Weight: | 487.99 |
| Molecular Formula: | C28 H26 Cl N3 O3 |
| Smiles: | COc1ccc(cc1)N1C=C(C(N2CCCN(Cc3ccccc3[Cl])C2)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.2215 |
| logD: | 4.2108 |
| logSw: | -4.4323 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.227 |
| InChI Key: | IQKPSBRNSAMWOT-UHFFFAOYSA-N |