N-[(5-bromofuran-2-yl)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-[(5-bromofuran-2-yl)methyl]-N,3-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-amine
N-[(5-bromofuran-2-yl)methyl]-N,3-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-amine
Compound characteristics
| Compound ID: | S637-3310 |
| Compound Name: | N-[(5-bromofuran-2-yl)methyl]-N,3-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-amine |
| Molecular Weight: | 339.23 |
| Molecular Formula: | C14 H19 Br N4 O |
| Smiles: | Cc1nnc2CCC(CCn12)N(C)Cc1ccc(o1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.585 |
| logD: | 0.7494 |
| logSw: | -1.8559 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.003 |
| InChI Key: | VNNPQWQYFXLAFV-NSHDSACASA-N |