N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-N-[2-(cycloheptylamino)-1-(4-methylphenyl)-2-oxoethyl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-N-[2-(cycloheptylamino)-1-(4-methylphenyl)-2-oxoethyl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-N-[2-(cycloheptylamino)-1-(4-methylphenyl)-2-oxoethyl]acetamide
Compound characteristics
| Compound ID: | K784-6016 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-N-[2-(cycloheptylamino)-1-(4-methylphenyl)-2-oxoethyl]acetamide |
| Molecular Weight: | 471 |
| Molecular Formula: | C26 H31 Cl N2 O4 |
| Smiles: | Cc1ccc(cc1)C(C(NC1CCCCCC1)=O)N(Cc1ccc2c(c1)OCO2)C(C[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0865 |
| logD: | 5.0865 |
| logSw: | -4.8997 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.491 |
| InChI Key: | FXKKDSQMOZENJZ-RUZDIDTESA-N |