methyl 5-amino-1-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-amino-1-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-1H-pyrazole-4-carboxylate
methyl 5-amino-1-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | G892-1052 |
| Compound Name: | methyl 5-amino-1-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 394.39 |
| Molecular Formula: | C20 H18 N4 O5 |
| Smiles: | COC(c1cnn(c2ccc(cc2)C(NCc2ccc3c(c2)OCO3)=O)c1N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1837 |
| logD: | 2.1837 |
| logSw: | -2.9105 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.257 |
| InChI Key: | PVXJEQNYFZOXBM-UHFFFAOYSA-N |