methyl 4-[9-chloro-2-(3-methoxyphenyl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
Chemical Structure Depiction of
methyl 4-[9-chloro-2-(3-methoxyphenyl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
methyl 4-[9-chloro-2-(3-methoxyphenyl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
Compound characteristics
| Compound ID: | K805-0682 |
| Compound Name: | methyl 4-[9-chloro-2-(3-methoxyphenyl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate |
| Molecular Weight: | 448.91 |
| Molecular Formula: | C25 H21 Cl N2 O4 |
| Smiles: | COC(c1ccc(cc1)C1N2C(CC(c3cccc(c3)OC)=N2)c2cc(ccc2O1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0614 |
| logD: | 6.0613 |
| logSw: | -6.4076 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.763 |
| InChI Key: | CYLBXWUYJIMPGO-UHFFFAOYSA-N |