5-({[4-(4-acetylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)furan-2-carboxamide
Chemical Structure Depiction of
5-({[4-(4-acetylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)furan-2-carboxamide
5-({[4-(4-acetylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)furan-2-carboxamide
Compound characteristics
| Compound ID: | V012-2163 |
| Compound Name: | 5-({[4-(4-acetylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)furan-2-carboxamide |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C22 H31 N5 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1ccc(CSc2nc(COC)cc(n2)N2CCN(CC2)C(C)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0562 |
| logD: | 3.0561 |
| logSw: | -3.2885 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.817 |
| InChI Key: | WHDKNLSIQQGZGY-UHFFFAOYSA-N |