N-[(5-benzyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-3-fluoro-4-methylbenzamide
Chemical Structure Depiction of
N-[(5-benzyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-3-fluoro-4-methylbenzamide
N-[(5-benzyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-3-fluoro-4-methylbenzamide
Compound characteristics
| Compound ID: | SC45-0900 |
| Compound Name: | N-[(5-benzyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-3-fluoro-4-methylbenzamide |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C21 H20 F N5 O2 |
| Smiles: | Cc1ccc(cc1F)C(NCc1c2CN(Cc3ccccc3)C(Cn2nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8419 |
| logD: | 1.8419 |
| logSw: | -2.3395 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.226 |
| InChI Key: | ILSGMPYGESLCTR-UHFFFAOYSA-N |