4-(4-tert-butylanilino)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-tert-butylanilino)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
4-(4-tert-butylanilino)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0442 |
| Compound Name: | 4-(4-tert-butylanilino)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile |
| Molecular Weight: | 374.51 |
| Molecular Formula: | C22 H22 N4 S |
| Smiles: | CC(C)(C)c1ccc(cc1)Nc1c(C#N)c(c2ccccc2)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 6.4223 |
| logD: | 6.4223 |
| logSw: | -6.1631 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.639 |
| InChI Key: | BEGVCVBFUVPFOG-UHFFFAOYSA-N |