4-(4-methylpiperidine-1-sulfonyl)-2-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-(4-methylpiperidine-1-sulfonyl)-2-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}isoquinolin-1(2H)-one
4-(4-methylpiperidine-1-sulfonyl)-2-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C265-0754 |
| Compound Name: | 4-(4-methylpiperidine-1-sulfonyl)-2-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}isoquinolin-1(2H)-one |
| Molecular Weight: | 553.64 |
| Molecular Formula: | C27 H31 N5 O6 S |
| Smiles: | CC1CCN(CC1)S(C1=CN(CC(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)C(c2ccccc12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5822 |
| logD: | 2.5822 |
| logSw: | -3.2647 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 100.946 |
| InChI Key: | RPUGPUVWBVEJIZ-UHFFFAOYSA-N |