N-benzyl-4-({[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-methylbenzamide
Chemical Structure Depiction of
N-benzyl-4-({[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-methylbenzamide
N-benzyl-4-({[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-methylbenzamide
Compound characteristics
| Compound ID: | V028-0594 |
| Compound Name: | N-benzyl-4-({[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-methylbenzamide |
| Molecular Weight: | 517.74 |
| Molecular Formula: | C30 H39 N5 O S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1cc(C(C)(C)C)nc(n1)SCc1ccc(cc1)C(N(C)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8403 |
| logD: | 5.1529 |
| logSw: | -5.4562 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.863 |
| InChI Key: | HKRWYYFYIGZILA-UHFFFAOYSA-N |