N-benzyl-4-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-methylbenzamide
Chemical Structure Depiction of
N-benzyl-4-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-methylbenzamide
N-benzyl-4-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-methylbenzamide
Compound characteristics
| Compound ID: | V026-8229 |
| Compound Name: | N-benzyl-4-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-methylbenzamide |
| Molecular Weight: | 598.81 |
| Molecular Formula: | C35 H42 N4 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1ccc(cc1)C(N(C)Cc1ccccc1)=O)N(C)CCc1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 6.714 |
| logD: | 6.7069 |
| logSw: | -5.6599 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.068 |
| InChI Key: | SEDFAWRYYTWWQD-UHFFFAOYSA-N |