N-benzyl-4-({[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-benzyl-4-({[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
N-benzyl-4-({[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V003-6313 |
| Compound Name: | N-benzyl-4-({[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 503.71 |
| Molecular Formula: | C29 H37 N5 O S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1cc(C(C)(C)C)nc(n1)SCc1ccc(cc1)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6171 |
| logD: | 4.9296 |
| logSw: | -5.4261 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.126 |
| InChI Key: | HZBFHDQEMRMDNB-UHFFFAOYSA-N |