N-[(4-chloro-3-fluorophenyl)methyl]-N,3-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-amine
Chemical Structure Depiction of
N-[(4-chloro-3-fluorophenyl)methyl]-N,3-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-amine
N-[(4-chloro-3-fluorophenyl)methyl]-N,3-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-amine
Compound characteristics
| Compound ID: | S637-3297 |
| Compound Name: | N-[(4-chloro-3-fluorophenyl)methyl]-N,3-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-amine |
| Molecular Weight: | 322.81 |
| Molecular Formula: | C16 H20 Cl F N4 |
| Smiles: | Cc1nnc2CCC(CCn12)N(C)Cc1ccc(c(c1)F)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1428 |
| logD: | 1.1701 |
| logSw: | -2.8366 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 28.9068 |
| InChI Key: | XIZDONWBTFMVMY-ZDUSSCGKSA-N |