4-(4-methylpiperidine-1-sulfonyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-(4-methylpiperidine-1-sulfonyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoquinolin-1(2H)-one
4-(4-methylpiperidine-1-sulfonyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C265-0755 |
| Compound Name: | 4-(4-methylpiperidine-1-sulfonyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoquinolin-1(2H)-one |
| Molecular Weight: | 508.64 |
| Molecular Formula: | C27 H32 N4 O4 S |
| Smiles: | CC1CCN(CC1)S(C1=CN(CC(N2CCN(CC2)c2ccccc2)=O)C(c2ccccc12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.535 |
| logD: | 2.5349 |
| logSw: | -2.9723 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.564 |
| InChI Key: | AQRZFYSPPHSTFR-UHFFFAOYSA-N |