2-chloro-N-[2-(cycloheptylamino)-1-(4-ethoxy-3-methoxyphenyl)-2-oxoethyl]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-chloro-N-[2-(cycloheptylamino)-1-(4-ethoxy-3-methoxyphenyl)-2-oxoethyl]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamide
2-chloro-N-[2-(cycloheptylamino)-1-(4-ethoxy-3-methoxyphenyl)-2-oxoethyl]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | K784-6348 |
| Compound Name: | 2-chloro-N-[2-(cycloheptylamino)-1-(4-ethoxy-3-methoxyphenyl)-2-oxoethyl]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamide |
| Molecular Weight: | 545.08 |
| Molecular Formula: | C29 H37 Cl N2 O6 |
| Smiles: | CCOc1ccc(cc1OC)C(C(NC1CCCCCC1)=O)N(CC1COc2ccccc2O1)C(C[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.771 |
| logD: | 4.771 |
| logSw: | -4.4088 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.896 |
| InChI Key: | YGKHFYMIWSTAGN-UHFFFAOYSA-N |