4-(9-bromo-2-phenyl-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)-2-methoxyphenyl (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)-2-methoxyphenyl (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)-2-methoxyphenyl (2,4-dioxo-1,3-thiazolidin-5-yl)acetate
Compound characteristics
| Compound ID: | 5193-0042 |
| Compound Name: | 4-(9-bromo-2-phenyl-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)-2-methoxyphenyl (2,4-dioxo-1,3-thiazolidin-5-yl)acetate |
| Molecular Weight: | 608.47 |
| Molecular Formula: | C28 H22 Br N3 O6 S |
| Smiles: | COc1cc(ccc1OC(CC1C(NC(=O)S1)=O)=O)C1N2C(CC(c3ccccc3)=N2)c2cc(ccc2O1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1508 |
| logD: | 4.6444 |
| logSw: | -5.107 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.487 |
| InChI Key: | JOACHICAIRKNJZ-UHFFFAOYSA-N |