methyl 4-[7-ethoxy-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
Chemical Structure Depiction of
methyl 4-[7-ethoxy-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
methyl 4-[7-ethoxy-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
Compound characteristics
| Compound ID: | K805-0142 |
| Compound Name: | methyl 4-[7-ethoxy-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C24 H22 N2 O4 S |
| Smiles: | CCOc1cccc2C3CC(c4cccs4)=NN3C(c3ccc(cc3)C(=O)OC)Oc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.585 |
| logD: | 5.585 |
| logSw: | -5.4998 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.132 |
| InChI Key: | AHUSSJIDWJMZJW-UHFFFAOYSA-N |