2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-methoxyphenyl 3-methoxybenzoate
Chemical Structure Depiction of
2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-methoxyphenyl 3-methoxybenzoate
2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-methoxyphenyl 3-methoxybenzoate
Compound characteristics
| Compound ID: | C482-0604 |
| Compound Name: | 2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-methoxyphenyl 3-methoxybenzoate |
| Molecular Weight: | 467.86 |
| Molecular Formula: | C23 H18 Cl N3 O6 |
| Smiles: | Cc1cc(NC(C(=C/c2cc(c(c(c2)[Cl])OC(c2cccc(c2)OC)=O)OC)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.13 |
| logD: | 3.62 |
| logSw: | -6.54 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 205.58 |
| InChI Key: | FODXYEBTOQYJGO-UHFFFAOYSA-N |