5-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-yl)methyl]furan-2-carboxamide
Chemical Structure Depiction of
5-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-yl)methyl]furan-2-carboxamide
5-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-yl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | V026-2371 |
| Compound Name: | 5-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-yl)methyl]furan-2-carboxamide |
| Molecular Weight: | 568.74 |
| Molecular Formula: | C30 H40 N4 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1ccc(C(NCC2CCCO2)=O)o1)N(C)CCc1ccc(c(c1)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0574 |
| logD: | 5.0529 |
| logSw: | -4.6906 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.826 |
| InChI Key: | WXCRNEMNESOVLN-OAQYLSRUSA-N |