2-(4-{[1-(2-cyanoethyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-(4-{[1-(2-cyanoethyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)-N-(2-phenylethyl)acetamide
2-(4-{[1-(2-cyanoethyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | Y510-7292 |
| Compound Name: | 2-(4-{[1-(2-cyanoethyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 446.51 |
| Molecular Formula: | C25 H26 N4 O4 |
| Smiles: | CC1/C(=C/c2ccc(c(c2)OC)OCC(NCCc2ccccc2)=O)C(N(CCC#N)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.699 |
| logD: | 1.699 |
| logSw: | -2.031 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.01 |
| InChI Key: | UTAGRKKJQWIQTA-UHFFFAOYSA-N |