[1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl](4-benzylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl](4-benzylpiperazin-1-yl)methanone
[1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl](4-benzylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | C301-3454 |
| Compound Name: | [1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl](4-benzylpiperazin-1-yl)methanone |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C25 H31 N5 O3 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)n1cc(c(C(N2CCN(CC2)Cc2ccccc2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8374 |
| logD: | 3.8218 |
| logSw: | -4.0684 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.104 |
| InChI Key: | GLSOENJRHPUBJY-UHFFFAOYSA-N |