1-{4-[5-({[4-(4-benzylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[5-({[4-(4-benzylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one
1-{4-[5-({[4-(4-benzylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V025-6854 |
| Compound Name: | 1-{4-[5-({[4-(4-benzylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 564.71 |
| Molecular Formula: | C29 H36 N6 O4 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(c1ccc(CSc2nc(COC)cc(n2)N2CCN(CC2)Cc2ccccc2)o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4521 |
| logD: | 3.3451 |
| logSw: | -3.6906 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.321 |
| InChI Key: | MEZBBTQAMFNTNU-UHFFFAOYSA-N |