2-bromo-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 3,4-dimethoxybenzoate
Chemical Structure Depiction of
2-bromo-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 3,4-dimethoxybenzoate
2-bromo-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 3,4-dimethoxybenzoate
Compound characteristics
| Compound ID: | C482-0695 |
| Compound Name: | 2-bromo-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 3,4-dimethoxybenzoate |
| Molecular Weight: | 512.32 |
| Molecular Formula: | C23 H18 Br N3 O6 |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(c(c2)[Br])OC(c2ccc(c(c2)OC)OC)=O)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.15 |
| logD: | 2.63 |
| logSw: | -5.24 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 203.9 |
| InChI Key: | BIYPEJZZLGROFP-UHFFFAOYSA-N |