methyl 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(4-chlorophenyl)-1,2-oxazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(4-chlorophenyl)-1,2-oxazole-4-carboxylate
methyl 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(4-chlorophenyl)-1,2-oxazole-4-carboxylate
Compound characteristics
| Compound ID: | G790-0188 |
| Compound Name: | methyl 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(4-chlorophenyl)-1,2-oxazole-4-carboxylate |
| Molecular Weight: | 455.9 |
| Molecular Formula: | C23 H22 Cl N3 O5 |
| Smiles: | COC(c1c(c2ccc(cc2)[Cl])noc1N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9581 |
| logD: | 2.9187 |
| logSw: | -4.7954 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.366 |
| InChI Key: | SUYOGWUHMQJDDZ-UHFFFAOYSA-N |