3-(3,5-dimethyl-1H-pyrazole-1-carbonyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(3,5-dimethyl-1H-pyrazole-1-carbonyl)-2H-1-benzopyran-2-one
3-(3,5-dimethyl-1H-pyrazole-1-carbonyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y500-1136 |
| Compound Name: | 3-(3,5-dimethyl-1H-pyrazole-1-carbonyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 268.27 |
| Molecular Formula: | C15 H12 N2 O3 |
| Smiles: | Cc1cc(C)n(C(C2=Cc3ccccc3OC2=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.3367 |
| logD: | 1.3367 |
| logSw: | -1.8931 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.228 |
| InChI Key: | XSUJXOTYATUSKT-UHFFFAOYSA-N |