1-{4-[2-({[(2H-1,3-benzodioxol-5-yl)methyl][(4-ethoxyphenyl)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][(4-ethoxyphenyl)methyl]amino}methyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl}ethan-1-one
1-{4-[2-({[(2H-1,3-benzodioxol-5-yl)methyl][(4-ethoxyphenyl)methyl]amino}methyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V019-4596 |
| Compound Name: | 1-{4-[2-({[(2H-1,3-benzodioxol-5-yl)methyl][(4-ethoxyphenyl)methyl]amino}methyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 520.59 |
| Molecular Formula: | C28 H32 N4 O6 |
| Salt: | not_available |
| Smiles: | CCOc1ccc(CN(Cc2ccc3c(c2)OCO3)Cc2nc(co2)C(N2CCN(CC2)C(C)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7016 |
| logD: | 2.7013 |
| logSw: | -2.9507 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.167 |
| InChI Key: | BNRWRNOKDUMRDZ-UHFFFAOYSA-N |