5-(azepan-1-yl)-2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(azepan-1-yl)-2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
5-(azepan-1-yl)-2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D561-1003 |
| Compound Name: | 5-(azepan-1-yl)-2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 442.31 |
| Molecular Formula: | C21 H20 Br N3 O3 |
| Smiles: | C1CCCN(CC1)c1c(C#N)nc(c2ccc(COc3ccc(cc3)[Br])o2)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.6194 |
| logD: | 5.6194 |
| logSw: | -5.7601 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.155 |
| InChI Key: | AIRSHBWWRNTJAH-UHFFFAOYSA-N |