N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-3-(oxan-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-amine
Chemical Structure Depiction of
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-3-(oxan-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-amine
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-3-(oxan-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-amine
Compound characteristics
| Compound ID: | CM4205-5199 |
| Compound Name: | N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-3-(oxan-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-amine |
| Molecular Weight: | 392.9 |
| Molecular Formula: | C20 H26 Cl F N4 O |
| Smiles: | CN(Cc1cc(ccc1F)[Cl])C1CCc2nnc(C3CCOCC3)n2CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3732 |
| logD: | 2.3575 |
| logSw: | -3.6325 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.959 |
| InChI Key: | OETUJOLLVFITHW-KRWDZBQOSA-N |