4-[2-(4-bromophenyl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl benzoate
Chemical Structure Depiction of
4-[2-(4-bromophenyl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl benzoate
4-[2-(4-bromophenyl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl benzoate
Compound characteristics
| Compound ID: | 3168-0355 |
| Compound Name: | 4-[2-(4-bromophenyl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl benzoate |
| Molecular Weight: | 525.4 |
| Molecular Formula: | C29 H21 Br N2 O3 |
| Smiles: | C1C2c3ccccc3OC(c3ccc(cc3)OC(c3ccccc3)=O)N2N=C1c1ccc(cc1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.1188 |
| logD: | 7.1188 |
| logSw: | -6.3165 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.424 |
| InChI Key: | NGJLKJZDJLWDRV-UHFFFAOYSA-N |