1-methyl-3-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)carbamoyl]-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
1-methyl-3-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)carbamoyl]-1H-pyrazole-4-carboxylic acid
1-methyl-3-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)carbamoyl]-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-8289 |
| Compound Name: | 1-methyl-3-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)carbamoyl]-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 327.29 |
| Molecular Formula: | C16 H13 N3 O5 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)NC(c1c(cn(C)n1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2544 |
| logD: | -2.9344 |
| logSw: | -2.2578 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.501 |
| InChI Key: | DYUAZEJPCKCAKB-UHFFFAOYSA-N |