4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 2-thiophenecarboxylate
Chemical Structure Depiction of
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 2-thiophenecarboxylate
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 2-thiophenecarboxylate
Compound characteristics
| Compound ID: | C482-0227 |
| Compound Name: | 4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 2-thiophenecarboxylate |
| Molecular Weight: | 409.42 |
| Molecular Formula: | C20 H15 N3 O5 S |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(c(c2)OC)OC(c2cccs2)=O)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.1 |
| logD: | 2.58 |
| logSw: | -5.15 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 192.62 |
| InChI Key: | PJGGCOOMGUOXBV-UHFFFAOYSA-N |