6-methyl-2-phenyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
6-methyl-2-phenyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile
6-methyl-2-phenyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | 8018-9076 |
| Compound Name: | 6-methyl-2-phenyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 333.23 |
| Molecular Formula: | C14 H9 F6 N3 |
| Smiles: | CC1=C(C#N)C(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2)N1 |
| Stereo: | ACHIRAL |
| logP: | 3.6429 |
| logD: | 3.6429 |
| logSw: | -3.8099 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.081 |
| InChI Key: | OQJRJOYWAQVOOL-UHFFFAOYSA-N |