ethyl 1-{[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetyl}piperidine-3-carboxylate
ethyl 1-{[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | C265-0794 |
| Compound Name: | ethyl 1-{[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetyl}piperidine-3-carboxylate |
| Molecular Weight: | 503.62 |
| Molecular Formula: | C25 H33 N3 O6 S |
| Smiles: | CCOC(C1CCCN(C1)C(CN1C=C(c2ccccc2C1=O)S(N1CCC(C)CC1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8798 |
| logD: | 1.8798 |
| logSw: | -2.7107 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 84.991 |
| InChI Key: | GXURPMCMKVCRKS-IBGZPJMESA-N |