2-{[(2-fluorophenyl)methyl]sulfanyl}-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-{[(2-fluorophenyl)methyl]sulfanyl}-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
2-{[(2-fluorophenyl)methyl]sulfanyl}-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D518-0041 |
| Compound Name: | 2-{[(2-fluorophenyl)methyl]sulfanyl}-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 327.33 |
| Molecular Formula: | C16 H10 F N3 O2 S |
| Smiles: | C(c1ccccc1F)SC1NC(C(C#N)=C(c2ccco2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8132 |
| logD: | 0.0422 |
| logSw: | -3.3009 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.017 |
| InChI Key: | SEHIFWDEHGEKPD-UHFFFAOYSA-N |