3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-[2-(morpholin-4-yl)ethyl]benzamide
Chemical Structure Depiction of
3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-[2-(morpholin-4-yl)ethyl]benzamide
3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-[2-(morpholin-4-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | V026-2495 |
| Compound Name: | 3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-[2-(morpholin-4-yl)ethyl]benzamide |
| Molecular Weight: | 607.82 |
| Molecular Formula: | C33 H45 N5 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1cccc(c1)C(NCCN1CCOCC1)=O)N(C)CCc1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.8549 |
| logD: | 4.8408 |
| logSw: | -4.5843 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.063 |
| InChI Key: | HLNCCDJLPDKZJS-UHFFFAOYSA-N |