1-{4-[4-({[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[4-({[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one
1-{4-[4-({[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V028-1757 |
| Compound Name: | 1-{4-[4-({[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 524.73 |
| Molecular Formula: | C28 H40 N6 O2 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1cc(C(C)(C)C)nc(n1)SCc1ccc(cc1)C(N1CCN(CC1)C(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6744 |
| logD: | 2.987 |
| logSw: | -3.7524 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.557 |
| InChI Key: | RCSCUVPLJOJXEK-UHFFFAOYSA-N |