N-{2-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3-fluorobenzamide
Chemical Structure Depiction of
N-{2-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3-fluorobenzamide
N-{2-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3-fluorobenzamide
Compound characteristics
| Compound ID: | F518-0062 |
| Compound Name: | N-{2-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3-fluorobenzamide |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C20 H16 F N5 O S |
| Smiles: | Cc1c(C)nc2ncnn2c1Sc1ccccc1NC(c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8255 |
| logD: | 3.8254 |
| logSw: | -4.0325 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.689 |
| InChI Key: | NPNHCSUQFXPMPD-UHFFFAOYSA-N |