2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 3-methoxybenzoate
Chemical Structure Depiction of
2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 3-methoxybenzoate
2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 3-methoxybenzoate
Compound characteristics
| Compound ID: | C482-0670 |
| Compound Name: | 2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 3-methoxybenzoate |
| Molecular Weight: | 437.84 |
| Molecular Formula: | C22 H16 Cl N3 O5 |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(c(c2)[Cl])OC(c2cccc(c2)OC)=O)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.68 |
| logD: | 3.16 |
| logSw: | -5.61 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 193.36 |
| InChI Key: | LLHATWRVDSYHBR-UHFFFAOYSA-N |