1-{4-[4-({[4-tert-butyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[4-({[4-tert-butyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one
1-{4-[4-({[4-tert-butyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V011-9572 |
| Compound Name: | 1-{4-[4-({[4-tert-butyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 497.66 |
| Molecular Formula: | C26 H35 N5 O3 S |
| Smiles: | CC(N1CCN(CC1)C(c1ccc(CSc2nc(cc(n2)N2CCOCC2)C(C)(C)C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.353 |
| logD: | 3.3523 |
| logSw: | -3.431 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.929 |
| InChI Key: | JXFFTBXJVHWVNS-UHFFFAOYSA-N |