1-{4-[2-({[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)-5,6-dimethylpyrimidin-4-yl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[2-({[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)-5,6-dimethylpyrimidin-4-yl]piperazin-1-yl}ethan-1-one
1-{4-[2-({[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)-5,6-dimethylpyrimidin-4-yl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V027-6439 |
| Compound Name: | 1-{4-[2-({[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)-5,6-dimethylpyrimidin-4-yl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 510.66 |
| Molecular Formula: | C26 H34 N6 O3 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(c1cccc(CSc2nc(C)c(C)c(n2)N2CCN(CC2)C(C)=O)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1891 |
| logD: | 2.1874 |
| logSw: | -2.4948 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.262 |
| InChI Key: | JNUFTCJWYOEYCL-UHFFFAOYSA-N |