6,7-dimethoxy-2-(2-methylpropyl)-4-(4-phenylpiperazine-1-carbonyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
6,7-dimethoxy-2-(2-methylpropyl)-4-(4-phenylpiperazine-1-carbonyl)isoquinolin-1(2H)-one
6,7-dimethoxy-2-(2-methylpropyl)-4-(4-phenylpiperazine-1-carbonyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C168-0470 |
| Compound Name: | 6,7-dimethoxy-2-(2-methylpropyl)-4-(4-phenylpiperazine-1-carbonyl)isoquinolin-1(2H)-one |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C26 H31 N3 O4 |
| Smiles: | CC(C)CN1C=C(C(N2CCN(CC2)c2ccccc2)=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5604 |
| logD: | 3.5604 |
| logSw: | -3.7297 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.641 |
| InChI Key: | PGMAASLEZBWDFV-UHFFFAOYSA-N |