2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-methylpiperidine-1-sulfonyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-methylpiperidine-1-sulfonyl)isoquinolin-1(2H)-one
2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-methylpiperidine-1-sulfonyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C265-0784 |
| Compound Name: | 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-methylpiperidine-1-sulfonyl)isoquinolin-1(2H)-one |
| Molecular Weight: | 522.67 |
| Molecular Formula: | C28 H34 N4 O4 S |
| Smiles: | CC1CCN(CC1)S(C1=CN(CC(N2CCN(CC2)Cc2ccccc2)=O)C(c2ccccc12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2161 |
| logD: | 2.2006 |
| logSw: | -2.8854 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.844 |
| InChI Key: | VHMAAUQOVQZMLZ-UHFFFAOYSA-N |