N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-N-[1-(2-chloro-4-fluorophenyl)-2-(cycloheptylamino)-2-oxoethyl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-N-[1-(2-chloro-4-fluorophenyl)-2-(cycloheptylamino)-2-oxoethyl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-N-[1-(2-chloro-4-fluorophenyl)-2-(cycloheptylamino)-2-oxoethyl]acetamide
Compound characteristics
| Compound ID: | K784-6404 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-N-[1-(2-chloro-4-fluorophenyl)-2-(cycloheptylamino)-2-oxoethyl]acetamide |
| Molecular Weight: | 509.4 |
| Molecular Formula: | C25 H27 Cl2 F N2 O4 |
| Smiles: | C1CCCC(CC1)NC(C(c1ccc(cc1[Cl])F)N(Cc1ccc2c(c1)OCO2)C(C[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5809 |
| logD: | 5.5809 |
| logSw: | -5.9894 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.491 |
| InChI Key: | YEQKTBBRTXCFCZ-XMMPIXPASA-N |