3-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
3-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-6128 |
| Compound Name: | 3-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 303.27 |
| Molecular Formula: | C14 H13 N3 O5 |
| Smiles: | Cn1cc(C(O)=O)c(C(Nc2ccc3c(c2)OCCO3)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.2647 |
| logD: | -3.9241 |
| logSw: | -2.1603 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.916 |
| InChI Key: | LRRZVWSAUAFRIV-UHFFFAOYSA-N |