6-oxo-2-(pentylsulfanyl)-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
6-oxo-2-(pentylsulfanyl)-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
6-oxo-2-(pentylsulfanyl)-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0003 |
| Compound Name: | 6-oxo-2-(pentylsulfanyl)-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 299.39 |
| Molecular Formula: | C16 H17 N3 O S |
| Smiles: | CCCCCSC1NC(C(C#N)=C(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1587 |
| logD: | 0.5903 |
| logSw: | -3.9995 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.71 |
| InChI Key: | BLPSHRQDBLBQAJ-UHFFFAOYSA-N |