methyl 4-[2-(2-hydroxy-5-methylphenyl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
Chemical Structure Depiction of
methyl 4-[2-(2-hydroxy-5-methylphenyl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
methyl 4-[2-(2-hydroxy-5-methylphenyl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
Compound characteristics
| Compound ID: | 7896-0281 |
| Compound Name: | methyl 4-[2-(2-hydroxy-5-methylphenyl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate |
| Molecular Weight: | 414.46 |
| Molecular Formula: | C25 H22 N2 O4 |
| Smiles: | Cc1ccc(c(c1)C1CC2c3ccccc3OC(c3ccc(cc3)C(=O)OC)N2N=1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9563 |
| logD: | 5.9549 |
| logSw: | -5.4016 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.768 |
| InChI Key: | NGPQTXMIEPFGOX-UHFFFAOYSA-N |