N-[(5-benzyl-7-methyl-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-7-methyl-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-7-methyl-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: | SC45-0996 |
| Compound Name: | N-[(5-benzyl-7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-3-fluoro-4-methylbenzamide |
| Molecular Weight: | 407.45 |
| Molecular Formula: | C22 H22 F N5 O2 |
| Smiles: | CC1C(N(Cc2ccccc2)Cc2c(CNC(c3ccc(C)c(c3)F)=O)nnn12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.326 |
| logD: | 2.326 |
| logSw: | -2.854 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.357 |
| InChI Key: | OUSQWVHFBCVLOP-HNNXBMFYSA-N |