N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[5-(thiomorpholine-4-carbonyl)pyrimidin-2-yl]benzamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[5-(thiomorpholine-4-carbonyl)pyrimidin-2-yl]benzamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[5-(thiomorpholine-4-carbonyl)pyrimidin-2-yl]benzamide
Compound characteristics
| Compound ID: | V002-1369 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[5-(thiomorpholine-4-carbonyl)pyrimidin-2-yl]benzamide |
| Molecular Weight: | 506.62 |
| Molecular Formula: | C27 H30 N4 O4 S |
| Smiles: | CN(CCc1ccc(c(c1)OC)OC)C(c1cccc(c1)c1ncc(cn1)C(N1CCSCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0855 |
| logD: | 2.0855 |
| logSw: | -2.5435 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.619 |
| InChI Key: | BNTAARBQSBYXOG-UHFFFAOYSA-N |