1-{4-[5-({[4-ethyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[5-({[4-ethyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one
1-{4-[5-({[4-ethyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V026-8694 |
| Compound Name: | 1-{4-[5-({[4-ethyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 443.57 |
| Molecular Formula: | C22 H29 N5 O3 S |
| Smiles: | CCc1cc(nc(n1)SCc1ccc(C(N2CCN(CC2)C(C)=O)=O)o1)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.5203 |
| logD: | 3.52 |
| logSw: | -3.635 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.723 |
| InChI Key: | ACKXHZZHCBYHOD-UHFFFAOYSA-N |