2-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
2-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
2-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | S894-0484 |
| Compound Name: | 2-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 424.47 |
| Molecular Formula: | C23 H25 F N4 O3 |
| Smiles: | COc1ccc(CNC(C2CCCCC3=NN(Cc4cccc(c4)F)C(N23)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0942 |
| logD: | 3.0942 |
| logSw: | -3.3038 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.177 |
| InChI Key: | KBHZWCVIRPXWNM-FQEVSTJZSA-N |