9-chloro-2-(3-methoxyphenyl)-5-[4-(methylsulfanyl)phenyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
Chemical Structure Depiction of
9-chloro-2-(3-methoxyphenyl)-5-[4-(methylsulfanyl)phenyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
9-chloro-2-(3-methoxyphenyl)-5-[4-(methylsulfanyl)phenyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
Compound characteristics
| Compound ID: | K805-0681 |
| Compound Name: | 9-chloro-2-(3-methoxyphenyl)-5-[4-(methylsulfanyl)phenyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine |
| Molecular Weight: | 436.96 |
| Molecular Formula: | C24 H21 Cl N2 O2 S |
| Smiles: | COc1cccc(c1)C1CC2c3cc(ccc3OC(c3ccc(cc3)SC)N2N=1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.6899 |
| logD: | 6.6899 |
| logSw: | -6.6844 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.5895 |
| InChI Key: | ZRJVQQDBLOTKDL-UHFFFAOYSA-N |