methyl 2-{[5-(furan-2-yl)-1-phenyl-1H-1,2,3-triazole-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[5-(furan-2-yl)-1-phenyl-1H-1,2,3-triazole-4-carbonyl]amino}benzoate
methyl 2-{[5-(furan-2-yl)-1-phenyl-1H-1,2,3-triazole-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D731-0456 |
| Compound Name: | methyl 2-{[5-(furan-2-yl)-1-phenyl-1H-1,2,3-triazole-4-carbonyl]amino}benzoate |
| Molecular Weight: | 388.38 |
| Molecular Formula: | C21 H16 N4 O4 |
| Smiles: | COC(c1ccccc1NC(c1c(c2ccco2)n(c2ccccc2)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3329 |
| logD: | 3.3172 |
| logSw: | -3.8502 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.985 |
| InChI Key: | NCBIBAAXGPXECS-UHFFFAOYSA-N |