ethyl 3-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1-methyl-1H-pyrazole-5-carboxylate
Chemical Structure Depiction of
ethyl 3-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1-methyl-1H-pyrazole-5-carboxylate
ethyl 3-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1-methyl-1H-pyrazole-5-carboxylate
Compound characteristics
| Compound ID: | Y504-5586 |
| Compound Name: | ethyl 3-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1-methyl-1H-pyrazole-5-carboxylate |
| Molecular Weight: | 331.33 |
| Molecular Formula: | C16 H17 N3 O5 |
| Smiles: | CCOC(c1cc(C(Nc2ccc3c(c2)OCCO3)=O)nn1C)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8097 |
| logD: | 0.809 |
| logSw: | -2.1562 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.422 |
| InChI Key: | BSXUXJSWZNQHJN-UHFFFAOYSA-N |