2-{9-chloro-5-[2-(methylsulfanyl)ethyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl}-4-methylphenol
Chemical Structure Depiction of
2-{9-chloro-5-[2-(methylsulfanyl)ethyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl}-4-methylphenol
2-{9-chloro-5-[2-(methylsulfanyl)ethyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl}-4-methylphenol
Compound characteristics
| Compound ID: | 7896-0290 |
| Compound Name: | 2-{9-chloro-5-[2-(methylsulfanyl)ethyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl}-4-methylphenol |
| Molecular Weight: | 388.91 |
| Molecular Formula: | C20 H21 Cl N2 O2 S |
| Smiles: | Cc1ccc(c(c1)C1CC2c3cc(ccc3OC(CCSC)N2N=1)[Cl])O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8493 |
| logD: | 5.848 |
| logSw: | -5.7594 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.06 |
| InChI Key: | MFSPTLQKOZTHFS-UHFFFAOYSA-N |