[4-({[4-(4-ethylpiperazin-1-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[4-({[4-(4-ethylpiperazin-1-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
[4-({[4-(4-ethylpiperazin-1-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V014-8148 |
| Compound Name: | [4-({[4-(4-ethylpiperazin-1-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 453.65 |
| Molecular Formula: | C25 H35 N5 O S |
| Smiles: | CCN1CCN(CC1)c1cc(C(C)C)nc(n1)SCc1ccc(cc1)C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3863 |
| logD: | 3.6988 |
| logSw: | -4.1226 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.727 |
| InChI Key: | XBUUZTNYGMHIMF-UHFFFAOYSA-N |