4-(4-bromoanilino)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-bromoanilino)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
4-(4-bromoanilino)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D287-0018 |
| Compound Name: | 4-(4-bromoanilino)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile |
| Molecular Weight: | 397.29 |
| Molecular Formula: | C18 H13 Br N4 S |
| Smiles: | CSc1nc(c2ccccc2)c(C#N)c(Nc2ccc(cc2)[Br])n1 |
| Stereo: | ACHIRAL |
| logP: | 5.4618 |
| logD: | 5.4618 |
| logSw: | -5.8487 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.639 |
| InChI Key: | VSNKDZHXWVDBHX-UHFFFAOYSA-N |