4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 3,4-dimethoxybenzoate
Chemical Structure Depiction of
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 3,4-dimethoxybenzoate
4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 3,4-dimethoxybenzoate
Compound characteristics
| Compound ID: | C482-0584 |
| Compound Name: | 4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 3,4-dimethoxybenzoate |
| Molecular Weight: | 463.45 |
| Molecular Formula: | C24 H21 N3 O7 |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(c(c2)OC)OC(c2ccc(c(c2)OC)OC)=O)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.66 |
| logD: | 2.14 |
| logSw: | -4.53 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 221.52 |
| InChI Key: | TUULSOKVIJHBBA-UHFFFAOYSA-N |