2-{5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one
Chemical Structure Depiction of
2-{5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one
2-{5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 5510-1158 |
| Compound Name: | 2-{5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C20 H21 N5 O5 S |
| Smiles: | CC1c2ccccc2C(N(c2cc(ccc2[N+]([O-])=O)N2CCN(CC2)S(C)(=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0491 |
| logD: | 2.0491 |
| logSw: | -2.9311 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.736 |
| InChI Key: | CQJYBOYFQOSIOX-UHFFFAOYSA-N |