2-{5-[(3,4-dimethylphenoxy)methyl]furan-2-yl}-5-[4-(2-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-{5-[(3,4-dimethylphenoxy)methyl]furan-2-yl}-5-[4-(2-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
2-{5-[(3,4-dimethylphenoxy)methyl]furan-2-yl}-5-[4-(2-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D561-0045 |
| Compound Name: | 2-{5-[(3,4-dimethylphenoxy)methyl]furan-2-yl}-5-[4-(2-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 496.57 |
| Molecular Formula: | C29 H28 N4 O4 |
| Smiles: | Cc1ccc(cc1C)OCc1ccc(c2nc(C#N)c(N3CCN(CC3)C(c3ccccc3C)=O)o2)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.5078 |
| logD: | 5.5078 |
| logSw: | -5.4833 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 71.28 |
| InChI Key: | ARKMBDRHNKVVLW-UHFFFAOYSA-N |