1-{4-[5-({[4-(4-benzylpiperazin-1-yl)-6-ethylpyrimidin-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-ethylpyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one
1-{4-[5-({[4-(4-benzylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V024-5254 |
| Compound Name: | 1-{4-[5-({[4-(4-benzylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 548.71 |
| Molecular Formula: | C29 H36 N6 O3 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1ccc(C(N2CCN(CC2)C(C)=O)=O)o1)N1CCN(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2719 |
| logD: | 4.1648 |
| logSw: | -4.1191 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.897 |
| InChI Key: | GTILDLRKCXOVDH-UHFFFAOYSA-N |