N-[2-(3,4-diethoxyphenyl)ethyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0490 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C24 H27 N3 O3 S |
| Smiles: | CCOc1ccc(CCNC(c2cnc(nc2c2ccccc2)SC)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.8041 |
| logD: | 3.8041 |
| logSw: | -3.8246 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.228 |
| InChI Key: | JNTXOIIDLYBONA-UHFFFAOYSA-N |