1-[4-(adamantan-1-yl)piperazin-1-yl]-2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)ethan-1-one
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | 8018-4651 |
| Compound Name: | 1-[4-(adamantan-1-yl)piperazin-1-yl]-2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 448.69 |
| Molecular Formula: | C23 H36 N4 O S2 |
| Smiles: | Cc1c(CCSC)[nH]c(n1)SCC(N1CCN(CC1)C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8205 |
| logD: | 2.4044 |
| logSw: | -3.9014 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.466 |
| InChI Key: | GACJRCFVPPWUKA-UHFFFAOYSA-N |