4-(3-chloro-4-methylanilino)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(3-chloro-4-methylanilino)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
4-(3-chloro-4-methylanilino)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D287-0011 |
| Compound Name: | 4-(3-chloro-4-methylanilino)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile |
| Molecular Weight: | 366.87 |
| Molecular Formula: | C19 H15 Cl N4 S |
| Smiles: | Cc1ccc(cc1[Cl])Nc1c(C#N)c(c2ccccc2)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 6.0181 |
| logD: | 6.0181 |
| logSw: | -6.3153 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.639 |
| InChI Key: | ISBHSBIWYPWAHG-UHFFFAOYSA-N |