methyl 4-[9-chloro-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
Chemical Structure Depiction of
methyl 4-[9-chloro-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
methyl 4-[9-chloro-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
Compound characteristics
| Compound ID: | K805-0736 |
| Compound Name: | methyl 4-[9-chloro-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate |
| Molecular Weight: | 424.9 |
| Molecular Formula: | C22 H17 Cl N2 O3 S |
| Smiles: | COC(c1ccc(cc1)C1N2C(CC(c3cccs3)=N2)c2cc(ccc2O1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8619 |
| logD: | 5.8619 |
| logSw: | -6.2277 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.238 |
| InChI Key: | CAIUBUCRIYIULJ-UHFFFAOYSA-N |