2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-(4-methylpiperidine-1-sulfonyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-(4-methylpiperidine-1-sulfonyl)isoquinolin-1(2H)-one
2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-(4-methylpiperidine-1-sulfonyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C265-0799 |
| Compound Name: | 2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-(4-methylpiperidine-1-sulfonyl)isoquinolin-1(2H)-one |
| Molecular Weight: | 538.67 |
| Molecular Formula: | C28 H34 N4 O5 S |
| Smiles: | CC1CCN(CC1)S(C1=CN(CC(N2CCN(CC2)c2ccc(cc2)OC)=O)C(c2ccccc12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6389 |
| logD: | 2.6384 |
| logSw: | -3.2819 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.108 |
| InChI Key: | MFNJCPWAQWDRBQ-UHFFFAOYSA-N |