5-(4-butanoylpiperazin-1-yl)-2-{5-[(4-chlorophenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(4-butanoylpiperazin-1-yl)-2-{5-[(4-chlorophenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
5-(4-butanoylpiperazin-1-yl)-2-{5-[(4-chlorophenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D366-0196 |
| Compound Name: | 5-(4-butanoylpiperazin-1-yl)-2-{5-[(4-chlorophenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 454.91 |
| Molecular Formula: | C23 H23 Cl N4 O4 |
| Smiles: | CCCC(N1CCN(CC1)c1c(C#N)nc(c2ccc(COc3ccc(cc3)[Cl])o2)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3872 |
| logD: | 4.3872 |
| logSw: | -4.5006 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 71.024 |
| InChI Key: | UUXITQTWEKAZTN-UHFFFAOYSA-N |