2,2-dimethyl-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
2,2-dimethyl-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
2,2-dimethyl-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | 8013-1554 |
| Compound Name: | 2,2-dimethyl-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile |
| Molecular Weight: | 259.33 |
| Molecular Formula: | C13 H13 N3 O S |
| Smiles: | CC1(C)NC(C(C#N)=C(N1c1ccccc1)S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7697 |
| logD: | -1.2086 |
| logSw: | -2.1755 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.36 |
| InChI Key: | FVQMTKZETFZPBV-UHFFFAOYSA-N |