5-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
Chemical Structure Depiction of
5-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
5-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
Compound characteristics
| Compound ID: | 6969-1607 |
| Compound Name: | 5-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine |
| Molecular Weight: | 455.33 |
| Molecular Formula: | C21 H15 Br N2 O3 S |
| Smiles: | C1C2c3ccccc3OC(c3cc4c(cc3[Br])OCO4)N2N=C1c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4788 |
| logD: | 5.4788 |
| logSw: | -5.9112 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.18 |
| InChI Key: | MPUBZHQSLQNURA-UHFFFAOYSA-N |