methyl 4-{7-[(4-fluorophenyl)carbamoyl]-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzoate
Chemical Structure Depiction of
methyl 4-{7-[(4-fluorophenyl)carbamoyl]-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzoate
methyl 4-{7-[(4-fluorophenyl)carbamoyl]-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzoate
Compound characteristics
| Compound ID: | 7238-1690 |
| Compound Name: | methyl 4-{7-[(4-fluorophenyl)carbamoyl]-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzoate |
| Molecular Weight: | 489.53 |
| Molecular Formula: | C25 H20 F N5 O3 S |
| Smiles: | COC(c1ccc(cc1)C1C(C(Nc2ccc(cc2)F)=O)Sc2nnc(c3ccccc3)n2N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6522 |
| logD: | 4.6507 |
| logSw: | -4.482 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.957 |
| InChI Key: | UHQPBAFCSFSCEZ-UHFFFAOYSA-N |