[1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl][4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
[1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl][4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
[1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl][4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | C301-3254 |
| Compound Name: | [1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl][4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 484 |
| Molecular Formula: | C25 H30 Cl N5 O3 |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(c1c(cn(C23CC4CC(CC(C4)C3)C2)n1)[N+]([O-])=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.439 |
| logD: | 5.439 |
| logSw: | -5.9525 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.523 |
| InChI Key: | WFDJARHQNVGUIO-UHFFFAOYSA-N |