2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethan-1-one
2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | E613-0236 |
| Compound Name: | 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 449.51 |
| Molecular Formula: | C25 H27 N3 O5 |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(COCc1cc(c2ccc3c(c2)OCO3)on1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8896 |
| logD: | 3.8894 |
| logSw: | -3.9256 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.418 |
| InChI Key: | LBLZAVCKXJHUFP-SFHVURJKSA-N |