4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1(2H)-one
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C168-0467 |
| Compound Name: | 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1(2H)-one |
| Molecular Weight: | 483.99 |
| Molecular Formula: | C26 H30 Cl N3 O4 |
| Smiles: | CC(C)CN1C=C(C(N2CCN(CC2)c2cccc(c2)[Cl])=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.144 |
| logD: | 4.144 |
| logSw: | -4.4818 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.641 |
| InChI Key: | MHYACDMIBYWRGW-UHFFFAOYSA-N |