ethyl 4-{[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetyl}piperazine-1-carboxylate
ethyl 4-{[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C265-0778 |
| Compound Name: | ethyl 4-{[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetyl}piperazine-1-carboxylate |
| Molecular Weight: | 504.6 |
| Molecular Formula: | C24 H32 N4 O6 S |
| Smiles: | CCOC(N1CCN(CC1)C(CN1C=C(c2ccccc2C1=O)S(N1CCC(C)CC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4375 |
| logD: | 1.4375 |
| logSw: | -2.5617 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 87.084 |
| InChI Key: | GSOOEULTLZSBPF-UHFFFAOYSA-N |