2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0134 |
| Compound Name: | 2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 338.39 |
| Molecular Formula: | C17 H14 N4 O2 S |
| Smiles: | Cc1c(CSC2NC(C(C#N)=C(c3ccccc3)N=2)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.5186 |
| logD: | -0.7315 |
| logSw: | -2.7666 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.477 |
| InChI Key: | LOLYVWSKBGOOCS-UHFFFAOYSA-N |