2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-(cyclohexylamino)-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-(cyclohexylamino)-1,3-oxazole-4-carbonitrile
2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-(cyclohexylamino)-1,3-oxazole-4-carbonitrile
Compound characteristics
Compound ID: | D561-0739 |
Compound Name: | 2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-(cyclohexylamino)-1,3-oxazole-4-carbonitrile |
Molecular Weight: | 442.31 |
Molecular Formula: | C21 H20 Br N3 O3 |
Smiles: | C1CCC(CC1)Nc1c(C#N)nc(c2ccc(COc3ccc(cc3)[Br])o2)o1 |
Stereo: | ACHIRAL |
logP: | 5.7131 |
logD: | 5.7131 |
logSw: | -5.8274 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.072 |
InChI Key: | VIRUCVIKWYMCNW-UHFFFAOYSA-N |