(4-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}piperazin-1-yl)(furan-2-yl)methanone
Chemical Structure Depiction of
(4-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}piperazin-1-yl)(furan-2-yl)methanone
(4-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}piperazin-1-yl)(furan-2-yl)methanone
Compound characteristics
| Compound ID: | Y501-1170 |
| Compound Name: | (4-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}piperazin-1-yl)(furan-2-yl)methanone |
| Molecular Weight: | 488.3 |
| Molecular Formula: | C20 H18 Br N5 O5 |
| Smiles: | C1CN(CCN1C(c1cccc(Cn2cc(c(n2)[N+]([O-])=O)[Br])c1)=O)C(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4764 |
| logD: | 1.4764 |
| logSw: | -1.7596 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 89.518 |
| InChI Key: | MJPHECXNRHMRJL-UHFFFAOYSA-N |