2-(4-tert-butylphenyl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-(4-tert-butylphenyl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile
2-(4-tert-butylphenyl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | 8019-1020 |
| Compound Name: | 2-(4-tert-butylphenyl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 389.34 |
| Molecular Formula: | C18 H17 F6 N3 |
| Smiles: | CC1=C(C#N)C(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(cc2)C(C)(C)C)N1 |
| Stereo: | ACHIRAL |
| logP: | 5.5425 |
| logD: | 5.5425 |
| logSw: | -5.7872 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.081 |
| InChI Key: | IFZGQHNTMHFNAC-UHFFFAOYSA-N |