3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V003-2127 |
| Compound Name: | 3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 578.77 |
| Molecular Formula: | C32 H42 N4 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1cccc(c1)C(NCC1CCCO1)=O)N(C)CCc1ccc(c(c1)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3332 |
| logD: | 5.3261 |
| logSw: | -5.2351 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.985 |
| InChI Key: | LIWXGQABLHSYIV-RUZDIDTESA-N |