N-(5-{[(6,7-dimethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
Chemical Structure Depiction of
N-(5-{[(6,7-dimethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
N-(5-{[(6,7-dimethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | L150-0788 |
| Compound Name: | N-(5-{[(6,7-dimethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C20 H16 F N5 O2 S2 |
| Smiles: | Cc1cc2c(cc1C)N=C(CSc1nnc(NC(c3ccc(cc3)F)=O)s1)C(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4917 |
| logD: | 4.2009 |
| logSw: | -4.2339 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.854 |
| InChI Key: | NWWHCHZAGWLLAF-UHFFFAOYSA-N |