N-(3-methylbutyl)-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(3-methylbutyl)-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
N-(3-methylbutyl)-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0415 |
| Compound Name: | N-(3-methylbutyl)-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide |
| Molecular Weight: | 315.44 |
| Molecular Formula: | C17 H21 N3 O S |
| Smiles: | CC(C)CCNC(c1cnc(nc1c1ccccc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8887 |
| logD: | 3.8887 |
| logSw: | -3.8848 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.079 |
| InChI Key: | PZMCNWURNZELKB-UHFFFAOYSA-N |