2-{5-[(3,4-dimethylphenoxy)methyl]furan-2-yl}-5-[4-(4-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-{5-[(3,4-dimethylphenoxy)methyl]furan-2-yl}-5-[4-(4-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
2-{5-[(3,4-dimethylphenoxy)methyl]furan-2-yl}-5-[4-(4-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D561-0021 |
| Compound Name: | 2-{5-[(3,4-dimethylphenoxy)methyl]furan-2-yl}-5-[4-(4-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 496.57 |
| Molecular Formula: | C29 H28 N4 O4 |
| Smiles: | Cc1ccc(cc1)C(N1CCN(CC1)c1c(C#N)nc(c2ccc(COc3ccc(C)c(C)c3)o2)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5407 |
| logD: | 5.5407 |
| logSw: | -5.4199 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 71.28 |
| InChI Key: | VSFYMCSQLBRFID-UHFFFAOYSA-N |