7-[{[2-chloro-5-(trifluoromethyl)phenyl]methyl}(methyl)amino]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
7-[{[2-chloro-5-(trifluoromethyl)phenyl]methyl}(methyl)amino]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
7-[{[2-chloro-5-(trifluoromethyl)phenyl]methyl}(methyl)amino]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | CM4206-2057 |
| Compound Name: | 7-[{[2-chloro-5-(trifluoromethyl)phenyl]methyl}(methyl)amino]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 388.82 |
| Molecular Formula: | C17 H20 Cl F3 N4 O |
| Smiles: | CN(Cc1cc(ccc1[Cl])C(F)(F)F)C1CCC2=NN(C)C(N2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5819 |
| logD: | 2.5227 |
| logSw: | -4.0252 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.062 |
| InChI Key: | OMIPJDKIRDOONT-ZDUSSCGKSA-N |