3-({[4-tert-butyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
3-({[4-tert-butyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
3-({[4-tert-butyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V003-3823 |
| Compound Name: | 3-({[4-tert-butyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 426.62 |
| Molecular Formula: | C24 H34 N4 O S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1cccc(CSc2nc(cc(n2)N2CCCC2)C(C)(C)C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8962 |
| logD: | 5.8956 |
| logSw: | -5.4147 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.227 |
| InChI Key: | SQDOBAGANIBOTM-UHFFFAOYSA-N |