1-{4-[2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2-methoxyphenyl)methyl]amino}methyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2-methoxyphenyl)methyl]amino}methyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl}ethan-1-one
1-{4-[2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2-methoxyphenyl)methyl]amino}methyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V019-8621 |
| Compound Name: | 1-{4-[2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2-methoxyphenyl)methyl]amino}methyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 506.56 |
| Molecular Formula: | C27 H30 N4 O6 |
| Smiles: | CC(N1CCN(CC1)C(c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2ccccc2OC)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4387 |
| logD: | 2.4383 |
| logSw: | -2.7472 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.674 |
| InChI Key: | JRRFTFIAZZXFBP-UHFFFAOYSA-N |