1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-[4-phenyl-3-(thiomorpholin-4-yl)-1H-pyrazol-1-yl]ethan-1-one
Chemical Structure Depiction of
1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-[4-phenyl-3-(thiomorpholin-4-yl)-1H-pyrazol-1-yl]ethan-1-one
1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-[4-phenyl-3-(thiomorpholin-4-yl)-1H-pyrazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | M148-1132 |
| Compound Name: | 1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-[4-phenyl-3-(thiomorpholin-4-yl)-1H-pyrazol-1-yl]ethan-1-one |
| Molecular Weight: | 434.56 |
| Molecular Formula: | C24 H26 N4 O2 S |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(Cn1cc(c2ccccc2)c(n1)N1CCSCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9563 |
| logD: | 3.9563 |
| logSw: | -3.8332 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.642 |
| InChI Key: | PQZQAWFMUGHPAD-UHFFFAOYSA-N |