2-{5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one
Chemical Structure Depiction of
2-{5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one
2-{5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 5646-1559 |
| Compound Name: | 2-{5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one |
| Molecular Weight: | 505.55 |
| Molecular Formula: | C25 H23 N5 O5 S |
| Smiles: | CC1c2ccccc2C(N(c2cc(ccc2[N+]([O-])=O)N2CCN(CC2)S(c2ccccc2)(=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.549 |
| logD: | 3.549 |
| logSw: | -4.0125 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.972 |
| InChI Key: | QZQIAMKURPQJNC-UHFFFAOYSA-N |