4-(4-benzylpiperazin-1-yl)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-benzylpiperazin-1-yl)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
4-(4-benzylpiperazin-1-yl)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D287-0057 |
| Compound Name: | 4-(4-benzylpiperazin-1-yl)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C23 H23 N5 S |
| Smiles: | CSc1nc(c2ccccc2)c(C#N)c(n1)N1CCN(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6488 |
| logD: | 4.6117 |
| logSw: | -4.4436 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.013 |
| InChI Key: | XHUALLGEFGFCAJ-UHFFFAOYSA-N |