2-(cyclopropylmethyl)-7-{methyl[(3,4,5-trifluorophenyl)methyl]amino}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
2-(cyclopropylmethyl)-7-{methyl[(3,4,5-trifluorophenyl)methyl]amino}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-(cyclopropylmethyl)-7-{methyl[(3,4,5-trifluorophenyl)methyl]amino}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S638-2679 |
| Compound Name: | 2-(cyclopropylmethyl)-7-{methyl[(3,4,5-trifluorophenyl)methyl]amino}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 380.41 |
| Molecular Formula: | C19 H23 F3 N4 O |
| Smiles: | CN(Cc1cc(c(c(c1)F)F)F)C1CCC2=NN(CC3CC3)C(N2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3258 |
| logD: | 1.7287 |
| logSw: | -3.4861 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.635 |
| InChI Key: | UXQDNCKAYFVRIK-AWEZNQCLSA-N |