6-bromo-3-[3-(1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-[3-(1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoyl]-2H-1-benzopyran-2-one
6-bromo-3-[3-(1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y505-3297 |
| Compound Name: | 6-bromo-3-[3-(1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 373.2 |
| Molecular Formula: | C17 H13 Br N2 O3 |
| Smiles: | Cc1c(/C=C/C(C2=Cc3cc(ccc3OC2=O)[Br])=O)cn(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.6236 |
| logD: | 2.6236 |
| logSw: | -2.9921 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.298 |
| InChI Key: | QQHOOXSQBYFQAQ-UHFFFAOYSA-N |