N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-N-[2-(cycloheptylamino)-1-(4-ethoxy-3-methoxyphenyl)-2-oxoethyl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-N-[2-(cycloheptylamino)-1-(4-ethoxy-3-methoxyphenyl)-2-oxoethyl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-N-[2-(cycloheptylamino)-1-(4-ethoxy-3-methoxyphenyl)-2-oxoethyl]acetamide
Compound characteristics
| Compound ID: | K784-6359 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-N-[2-(cycloheptylamino)-1-(4-ethoxy-3-methoxyphenyl)-2-oxoethyl]acetamide |
| Molecular Weight: | 531.05 |
| Molecular Formula: | C28 H35 Cl N2 O6 |
| Smiles: | CCOc1ccc(cc1OC)C(C(NC1CCCCCC1)=O)N(Cc1ccc2c(c1)OCO2)C(C[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6713 |
| logD: | 4.6713 |
| logSw: | -4.3923 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.332 |
| InChI Key: | XTEGHNWLGAYBDU-HHHXNRCGSA-N |