2-{7-methoxy-5-[2-(methylsulfanyl)ethyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl}-4-methylphenol
Chemical Structure Depiction of
2-{7-methoxy-5-[2-(methylsulfanyl)ethyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl}-4-methylphenol
2-{7-methoxy-5-[2-(methylsulfanyl)ethyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl}-4-methylphenol
Compound characteristics
| Compound ID: | 7896-0376 |
| Compound Name: | 2-{7-methoxy-5-[2-(methylsulfanyl)ethyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl}-4-methylphenol |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C21 H24 N2 O3 S |
| Smiles: | Cc1ccc(c(c1)C1CC2c3cccc(c3OC(CCSC)N2N=1)OC)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0549 |
| logD: | 5.0528 |
| logSw: | -4.3683 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.375 |
| InChI Key: | TUVHYQNAPBRYLD-UHFFFAOYSA-N |