N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0452 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide |
| Molecular Weight: | 353.48 |
| Molecular Formula: | C20 H23 N3 O S |
| Smiles: | CSc1ncc(C(NCCC2CCCCC=2)=O)c(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.1662 |
| logD: | 4.1662 |
| logSw: | -4.1308 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.999 |
| InChI Key: | CGOOQLKYVNVBSN-UHFFFAOYSA-N |