methyl 4-(7-{[(furan-2-yl)methyl]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-{[(furan-2-yl)methyl]carbamoyl}-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)benzoate
methyl 4-(7-{[(furan-2-yl)methyl]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: | 7238-1752 |
| Compound Name: | methyl 4-(7-{[(furan-2-yl)methyl]carbamoyl}-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)benzoate |
| Molecular Weight: | 475.53 |
| Molecular Formula: | C24 H21 N5 O4 S |
| Smiles: | COC(c1ccc(cc1)C1C(C(NCc2ccco2)=O)Sc2nnc(c3ccccc3)n2N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.891 |
| logD: | 3.891 |
| logSw: | -4.0788 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.028 |
| InChI Key: | ORUHFOWYSSWJJP-UHFFFAOYSA-N |