2-(methylsulfanyl)-4-phenyl-N-[(3,4,5-triethoxyphenyl)methyl]pyrimidine-5-carboxamide
Chemical Structure Depiction of
2-(methylsulfanyl)-4-phenyl-N-[(3,4,5-triethoxyphenyl)methyl]pyrimidine-5-carboxamide
2-(methylsulfanyl)-4-phenyl-N-[(3,4,5-triethoxyphenyl)methyl]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0640 |
| Compound Name: | 2-(methylsulfanyl)-4-phenyl-N-[(3,4,5-triethoxyphenyl)methyl]pyrimidine-5-carboxamide |
| Molecular Weight: | 467.59 |
| Molecular Formula: | C25 H29 N3 O4 S |
| Smiles: | CCOc1cc(CNC(c2cnc(nc2c2ccccc2)SC)=O)cc(c1OCC)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.6026 |
| logD: | 4.6026 |
| logSw: | -4.2634 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.683 |
| InChI Key: | CZFITYMTVHAUKQ-UHFFFAOYSA-N |