4-(azepane-1-carbonyl)-2-(3-methoxyphenyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-(azepane-1-carbonyl)-2-(3-methoxyphenyl)isoquinolin-1(2H)-one
4-(azepane-1-carbonyl)-2-(3-methoxyphenyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-2072 |
| Compound Name: | 4-(azepane-1-carbonyl)-2-(3-methoxyphenyl)isoquinolin-1(2H)-one |
| Molecular Weight: | 376.45 |
| Molecular Formula: | C23 H24 N2 O3 |
| Smiles: | COc1cccc(c1)N1C=C(C(N2CCCCCC2)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.4274 |
| logD: | 3.4274 |
| logSw: | -3.7752 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.278 |
| InChI Key: | SKBLQLBGXYBQPW-UHFFFAOYSA-N |