3-[({4-tert-butyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
3-[({4-tert-butyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide
3-[({4-tert-butyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V027-6989 |
| Compound Name: | 3-[({4-tert-butyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 468.71 |
| Molecular Formula: | C27 H40 N4 O S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1cccc(CSc2nc(cc(n2)N(C)C2CCCCC2)C(C)(C)C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7575 |
| logD: | 6.7569 |
| logSw: | -5.5027 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.415 |
| InChI Key: | CIJCGQCHYKHFPR-UHFFFAOYSA-N |