N-benzyl-4-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-methylbenzamide
Chemical Structure Depiction of
N-benzyl-4-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-methylbenzamide
N-benzyl-4-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-methylbenzamide
Compound characteristics
| Compound ID: | V028-1734 |
| Compound Name: | N-benzyl-4-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-methylbenzamide |
| Molecular Weight: | 503.71 |
| Molecular Formula: | C29 H37 N5 O S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1ccc(cc1)C(N(C)Cc1ccccc1)=O)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.4956 |
| logD: | 4.9256 |
| logSw: | -5.4402 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.803 |
| InChI Key: | JQCHFLDQPKLXSD-UHFFFAOYSA-N |