5-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)furan-2-carboxamide
Chemical Structure Depiction of
5-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)furan-2-carboxamide
5-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)furan-2-carboxamide
Compound characteristics
| Compound ID: | V014-3225 |
| Compound Name: | 5-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)furan-2-carboxamide |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C22 H31 N5 O3 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1ccc(C(NCC(C)C)=O)o1)N1CCN(CC1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.876 |
| logD: | 3.8758 |
| logSw: | -3.8238 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.393 |
| InChI Key: | JDMNZNCGNNJYHD-UHFFFAOYSA-N |