2-{5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one
Chemical Structure Depiction of
2-{5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one
2-{5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 5789-0055 |
| Compound Name: | 2-{5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one |
| Molecular Weight: | 457.51 |
| Molecular Formula: | C21 H23 N5 O5 S |
| Smiles: | CCS(N1CCN(CC1)c1ccc(c(c1)N1C(c2ccccc2C(C)=N1)=O)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3691 |
| logD: | 2.369 |
| logSw: | -2.9441 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.138 |
| InChI Key: | FBCFKOBBOJCNDP-UHFFFAOYSA-N |