4-(azepan-1-yl)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(azepan-1-yl)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
4-(azepan-1-yl)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D287-0055 |
| Compound Name: | 4-(azepan-1-yl)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile |
| Molecular Weight: | 324.45 |
| Molecular Formula: | C18 H20 N4 S |
| Smiles: | CSc1nc(c2ccccc2)c(C#N)c(n1)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.8283 |
| logD: | 4.8283 |
| logSw: | -4.6886 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.803 |
| InChI Key: | BBCZQSHJBQSVOE-UHFFFAOYSA-N |