N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-N-{1-(3,4-dimethoxyphenyl)-2-[(4-methylcyclohexyl)amino]-2-oxoethyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-N-{1-(3,4-dimethoxyphenyl)-2-[(4-methylcyclohexyl)amino]-2-oxoethyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-N-{1-(3,4-dimethoxyphenyl)-2-[(4-methylcyclohexyl)amino]-2-oxoethyl}acetamide
Compound characteristics
| Compound ID: | K784-5701 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-N-{1-(3,4-dimethoxyphenyl)-2-[(4-methylcyclohexyl)amino]-2-oxoethyl}acetamide |
| Molecular Weight: | 517.02 |
| Molecular Formula: | C27 H33 Cl N2 O6 |
| Smiles: | CC1CCC(CC1)NC(C(c1ccc(c(c1)OC)OC)N(Cc1ccc2c(c1)OCO2)C(C[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6382 |
| logD: | 4.6382 |
| logSw: | -4.432 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.421 |
| InChI Key: | UXDUVUNPACKPSN-XCUQADKLSA-N |