4-(9-bromo-2-phenyl-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenyl (2,4-dioxo-1,3-thiazolidin-5-yl)acetate
Chemical Structure Depiction of
4-(9-bromo-2-phenyl-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenyl (2,4-dioxo-1,3-thiazolidin-5-yl)acetate
4-(9-bromo-2-phenyl-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenyl (2,4-dioxo-1,3-thiazolidin-5-yl)acetate
Compound characteristics
| Compound ID: | 5193-0044 |
| Compound Name: | 4-(9-bromo-2-phenyl-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenyl (2,4-dioxo-1,3-thiazolidin-5-yl)acetate |
| Molecular Weight: | 578.44 |
| Molecular Formula: | C27 H20 Br N3 O5 S |
| Smiles: | C1C2c3cc(ccc3OC(c3ccc(cc3)OC(CC3C(NC(=O)S3)=O)=O)N2N=C1c1ccccc1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2364 |
| logD: | 4.73 |
| logSw: | -5.4462 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.77 |
| InChI Key: | MUYNTSPHTINIKT-UHFFFAOYSA-N |