1-(4-cyclohexylphenyl)-2-[(2,4-dimethoxyphenyl)(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]ethan-1-one--hydrogen bromide (1/1)
Chemical Structure Depiction of
1-(4-cyclohexylphenyl)-2-[(2,4-dimethoxyphenyl)(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]ethan-1-one--hydrogen bromide (1/1)
1-(4-cyclohexylphenyl)-2-[(2,4-dimethoxyphenyl)(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]ethan-1-one--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8012-7456 |
| Compound Name: | 1-(4-cyclohexylphenyl)-2-[(2,4-dimethoxyphenyl)(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]ethan-1-one--hydrogen bromide (1/1) |
| Molecular Weight: | 529.52 |
| Molecular Formula: | C28 H36 N2 O3 |
| Salt: | HBr |
| Smiles: | COc1ccc(c(c1)OC)N(CC(c1ccc(cc1)C1CCCCC1)=O)C1CCCCCN=1 |
| Stereo: | ACHIRAL |
| logP: | 6.4312 |
| logD: | 2.6682 |
| logSw: | -5.4536 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.945 |
| InChI Key: | KHTTZDASURPRQT-UHFFFAOYSA-N |