2-chloro-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N-(1-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2-[(4-methylcyclohexyl)amino]-2-oxoethyl)acetamide
Chemical Structure Depiction of
2-chloro-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N-(1-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2-[(4-methylcyclohexyl)amino]-2-oxoethyl)acetamide
2-chloro-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N-(1-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2-[(4-methylcyclohexyl)amino]-2-oxoethyl)acetamide
Compound characteristics
| Compound ID: | K784-5638 |
| Compound Name: | 2-chloro-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N-(1-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2-[(4-methylcyclohexyl)amino]-2-oxoethyl)acetamide |
| Molecular Weight: | 559.1 |
| Molecular Formula: | C30 H39 Cl N2 O6 |
| Smiles: | CC1CCC(CC1)NC(C(c1ccc(c(c1)OC)OC(C)C)N(CC1COc2ccccc2O1)C(C[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4551 |
| logD: | 5.4551 |
| logSw: | -5.5687 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.244 |
| InChI Key: | YGLJRVSNYUBNFE-UHFFFAOYSA-N |