5-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
5-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
5-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-6252 |
| Compound Name: | 5-[(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: | Cn1c(C(Nc2ccc3c(c2)OCCO3)=O)c(cn1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4689 |
| logD: | -3.7199 |
| logSw: | -2.204 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.077 |
| InChI Key: | WYDNXEIJLKDQHZ-UHFFFAOYSA-N |