6-bromo-2-(3,4-dimethylphenyl)[1]benzopyrano[2,3-c]pyrazol-3(2H)-one
Chemical Structure Depiction of
6-bromo-2-(3,4-dimethylphenyl)[1]benzopyrano[2,3-c]pyrazol-3(2H)-one
6-bromo-2-(3,4-dimethylphenyl)[1]benzopyrano[2,3-c]pyrazol-3(2H)-one
Compound characteristics
| Compound ID: | C652-0025 |
| Compound Name: | 6-bromo-2-(3,4-dimethylphenyl)[1]benzopyrano[2,3-c]pyrazol-3(2H)-one |
| Molecular Weight: | 369.22 |
| Molecular Formula: | C18 H13 Br N2 O2 |
| Smiles: | Cc1ccc(cc1C)N1C(C2=Cc3cc(ccc3OC2=N1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6363 |
| logD: | 4.6361 |
| logSw: | -4.6542 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.585 |
| InChI Key: | JIDIFKXPPVSXSU-UHFFFAOYSA-N |