2-amino-4-{5-[(2-bromophenoxy)methyl]furan-2-yl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{5-[(2-bromophenoxy)methyl]furan-2-yl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
2-amino-4-{5-[(2-bromophenoxy)methyl]furan-2-yl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-8243 |
| Compound Name: | 2-amino-4-{5-[(2-bromophenoxy)methyl]furan-2-yl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 452.35 |
| Molecular Formula: | C23 H22 Br N3 O2 |
| Smiles: | C1CCCc2c(CC1)c(c(C#N)c(N)n2)c1ccc(COc2ccccc2[Br])o1 |
| Stereo: | ACHIRAL |
| logP: | 5.8563 |
| logD: | 5.8562 |
| logSw: | -5.9379 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.243 |
| InChI Key: | REXDKBMOKAYADV-UHFFFAOYSA-N |