N-[(4-fluoro-3-methoxyphenyl)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-fluoro-3-methoxyphenyl)methyl]-N,3-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-amine
N-[(4-fluoro-3-methoxyphenyl)methyl]-N,3-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-amine
Compound characteristics
| Compound ID: | S637-3336 |
| Compound Name: | N-[(4-fluoro-3-methoxyphenyl)methyl]-N,3-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-amine |
| Molecular Weight: | 318.39 |
| Molecular Formula: | C17 H23 F N4 O |
| Smiles: | Cc1nnc2CCC(CCn12)N(C)Cc1ccc(c(c1)OC)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6206 |
| logD: | -1.1684 |
| logSw: | -2.0284 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.537 |
| InChI Key: | WPVUUTPCNDYAFV-AWEZNQCLSA-N |