[4-(adamantan-1-yl)piperazin-1-yl](4-methyl-3-nitrophenyl)methanone
Chemical Structure Depiction of
[4-(adamantan-1-yl)piperazin-1-yl](4-methyl-3-nitrophenyl)methanone
[4-(adamantan-1-yl)piperazin-1-yl](4-methyl-3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | 8013-3706 |
| Compound Name: | [4-(adamantan-1-yl)piperazin-1-yl](4-methyl-3-nitrophenyl)methanone |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C22 H29 N3 O3 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(N1CCN(CC1)C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2578 |
| logD: | 4.2174 |
| logSw: | -4.4091 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.919 |
| InChI Key: | MLHOTBNSDYBFSA-UHFFFAOYSA-N |