N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-N-[2-(cyclohexylamino)-1-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2-oxoethyl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-N-[2-(cyclohexylamino)-1-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2-oxoethyl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-N-[2-(cyclohexylamino)-1-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2-oxoethyl]acetamide
Compound characteristics
| Compound ID: | K784-5224 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-N-[2-(cyclohexylamino)-1-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2-oxoethyl]acetamide |
| Molecular Weight: | 531.05 |
| Molecular Formula: | C28 H35 Cl N2 O6 |
| Smiles: | CC(C)Oc1ccc(cc1OC)C(C(NC1CCCCC1)=O)N(Cc1ccc2c(c1)OCO2)C(C[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5469 |
| logD: | 4.5469 |
| logSw: | -4.3688 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.68 |
| InChI Key: | QCNNLVYJNDYDJQ-HHHXNRCGSA-N |