5-[(4-bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole
Chemical Structure Depiction of
5-[(4-bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole
5-[(4-bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole
Compound characteristics
| Compound ID: | 8019-7238 |
| Compound Name: | 5-[(4-bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole |
| Molecular Weight: | 454.7 |
| Molecular Formula: | C19 H17 Br Cl N O5 |
| Smiles: | COc1c(CC2CC(c3ccc(cc3)[Cl])=NO2)c(c2c(c1OC)OCO2)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3468 |
| logD: | 5.3468 |
| logSw: | -6.1966 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.721 |
| InChI Key: | KZJHTOUKGCIFAN-LBPRGKRZSA-N |