(4-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}piperazin-1-yl)(furan-2-yl)methanone
Chemical Structure Depiction of
(4-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}piperazin-1-yl)(furan-2-yl)methanone
(4-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}piperazin-1-yl)(furan-2-yl)methanone
Compound characteristics
| Compound ID: | Y501-9887 |
| Compound Name: | (4-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}piperazin-1-yl)(furan-2-yl)methanone |
| Molecular Weight: | 427.42 |
| Molecular Formula: | C20 H21 N5 O6 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(C(N3CCN(CC3)C(c3ccco3)=O)=O)o2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1253 |
| logD: | 1.1253 |
| logSw: | -1.8663 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 96.824 |
| InChI Key: | VBEGDYOIYWHPHY-UHFFFAOYSA-N |