N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-N-(1-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2-[(4-methylcyclohexyl)amino]-2-oxoethyl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-N-(1-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2-[(4-methylcyclohexyl)amino]-2-oxoethyl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-N-(1-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2-[(4-methylcyclohexyl)amino]-2-oxoethyl)acetamide
Compound characteristics
| Compound ID: | K784-5643 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-N-(1-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2-[(4-methylcyclohexyl)amino]-2-oxoethyl)acetamide |
| Molecular Weight: | 545.08 |
| Molecular Formula: | C29 H37 Cl N2 O6 |
| Smiles: | CC1CCC(CC1)NC(C(c1ccc(c(c1)OC)OC(C)C)N(Cc1ccc2c(c1)OCO2)C(C[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3553 |
| logD: | 5.3553 |
| logSw: | -5.518 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.68 |
| InChI Key: | IQCGNGHYOAQGKD-GWCPKJKKSA-N |