2-amino-4-{5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
2-amino-4-{5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-5246 |
| Compound Name: | 2-amino-4-{5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 490.44 |
| Molecular Formula: | C27 H28 Br N3 O |
| Smiles: | Cc1cc(C)c(cc1COc1ccc(cc1)[Br])c1c2CCCCCCc2nc(c1C#N)N |
| Stereo: | ACHIRAL |
| logP: | 7.4602 |
| logD: | 7.4595 |
| logSw: | -5.8684 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.315 |
| InChI Key: | VHMDXYRHQHHVJZ-UHFFFAOYSA-N |