N-(3-fluoro-4-methoxyphenyl)-2-[(3-fluorophenyl)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
N-(3-fluoro-4-methoxyphenyl)-2-[(3-fluorophenyl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-(3-fluoro-4-methoxyphenyl)-2-[(3-fluorophenyl)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: | S894-0488 |
| Compound Name: | N-(3-fluoro-4-methoxyphenyl)-2-[(3-fluorophenyl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 428.44 |
| Molecular Formula: | C22 H22 F2 N4 O3 |
| Smiles: | COc1ccc(cc1F)NC(C1CCCCC2=NN(Cc3cccc(c3)F)C(N12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.602 |
| logD: | 3.601 |
| logSw: | -3.7783 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.942 |
| InChI Key: | MPLXOYGPXZDCRB-SFHVURJKSA-N |