2-bromo-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-methoxyphenyl 2-thiophenecarboxylate
Chemical Structure Depiction of
2-bromo-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-methoxyphenyl 2-thiophenecarboxylate
2-bromo-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-methoxyphenyl 2-thiophenecarboxylate
Compound characteristics
| Compound ID: | C482-0623 |
| Compound Name: | 2-bromo-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-6-methoxyphenyl 2-thiophenecarboxylate |
| Molecular Weight: | 488.31 |
| Molecular Formula: | C20 H14 Br N3 O5 S |
| Smiles: | Cc1cc(NC(C(=C/c2cc(c(c(c2)[Br])OC(c2cccs2)=O)OC)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.78 |
| logD: | 3.26 |
| logSw: | -5.7 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 184 |
| InChI Key: | KBEASNCENCJFEY-UHFFFAOYSA-N |