2-({5-[(6-bromo-7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-({5-[(6-bromo-7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-1H-isoindole-1,3(2H)-dione
2-({5-[(6-bromo-7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8019-7160 |
| Compound Name: | 2-({5-[(6-bromo-7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 473.28 |
| Molecular Formula: | C21 H17 Br N2 O6 |
| Smiles: | COc1c2c(cc(CC3CC(CN4C(c5ccccc5C4=O)=O)=NO3)c1[Br])OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7911 |
| logD: | 3.7911 |
| logSw: | -4.0215 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.748 |
| InChI Key: | OQIFJXHVPZGWIX-ZDUSSCGKSA-N |