1-{4-[3-({[4-tert-butyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[3-({[4-tert-butyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one
1-{4-[3-({[4-tert-butyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V026-6337 |
| Compound Name: | 1-{4-[3-({[4-tert-butyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 481.66 |
| Molecular Formula: | C26 H35 N5 O2 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(c1cccc(CSc2nc(cc(n2)N2CCCC2)C(C)(C)C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2842 |
| logD: | 4.2836 |
| logSw: | -4.3171 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.386 |
| InChI Key: | MOVXVEODDDITCZ-UHFFFAOYSA-N |