1-{4-[5-({[4-phenyl-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-phenyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one
1-{4-[5-({[4-phenyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V027-0070 |
| Compound Name: | 1-{4-[5-({[4-phenyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C26 H29 N5 O3 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(c1ccc(CSc2nc(cc(n2)N2CCCC2)c2ccccc2)o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6676 |
| logD: | 4.6674 |
| logSw: | -4.4394 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.956 |
| InChI Key: | KRBJGZUJNUXXGH-UHFFFAOYSA-N |