1-[4-(adamantan-1-yl)piperazin-1-yl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)ethan-1-one
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8015-8342 |
| Compound Name: | 1-[4-(adamantan-1-yl)piperazin-1-yl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)ethan-1-one |
| Molecular Weight: | 374.44 |
| Molecular Formula: | C18 H26 N6 O3 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)N1CCN(CC1)C(Cn1cnc(n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0236 |
| logD: | 1.9833 |
| logSw: | -2.129 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.979 |
| InChI Key: | UNXPFBZFALHGCA-UHFFFAOYSA-N |