2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-methoxyphenyl 2-furoate
Chemical Structure Depiction of
2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-methoxyphenyl 2-furoate
2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-methoxyphenyl 2-furoate
Compound characteristics
| Compound ID: | C482-0610 |
| Compound Name: | 2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-methoxyphenyl 2-furoate |
| Molecular Weight: | 427.8 |
| Molecular Formula: | C20 H14 Cl N3 O6 |
| Smiles: | Cc1cc(NC(C(=C/c2cc(c(c(c2)[Cl])OC(c2ccco2)=O)OC)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.32 |
| logD: | 2.8 |
| logSw: | -5.14 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 197.11 |
| InChI Key: | XQGSMSHMKKGSTG-UHFFFAOYSA-N |