1-[4-(adamantan-1-yl)piperazin-1-yl]-2-({5-[(4-hydroxyphenyl)methyl]-4-methyl-1H-imidazol-2-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-({5-[(4-hydroxyphenyl)methyl]-4-methyl-1H-imidazol-2-yl}sulfanyl)ethan-1-one
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-({5-[(4-hydroxyphenyl)methyl]-4-methyl-1H-imidazol-2-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | 8017-7749 |
| Compound Name: | 1-[4-(adamantan-1-yl)piperazin-1-yl]-2-({5-[(4-hydroxyphenyl)methyl]-4-methyl-1H-imidazol-2-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 480.67 |
| Molecular Formula: | C27 H36 N4 O2 S |
| Smiles: | Cc1c(Cc2ccc(cc2)O)[nH]c(n1)SCC(N1CCN(CC1)C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0508 |
| logD: | 3.7549 |
| logSw: | -4.0908 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.811 |
| InChI Key: | VWCFEELCYITNCW-UHFFFAOYSA-N |