1-{4-[2-({[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)-6-ethylpyrimidin-4-yl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[2-({[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)-6-ethylpyrimidin-4-yl]piperazin-1-yl}ethan-1-one
1-{4-[2-({[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)-6-ethylpyrimidin-4-yl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V026-5579 |
| Compound Name: | 1-{4-[2-({[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)-6-ethylpyrimidin-4-yl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 510.66 |
| Molecular Formula: | C26 H34 N6 O3 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1ccc(cc1)C(N1CCN(CC1)C(C)=O)=O)N1CCN(CC1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.332 |
| logD: | 2.3316 |
| logSw: | -2.6005 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.711 |
| InChI Key: | RPRXVQFHRPOLTM-UHFFFAOYSA-N |