1-{[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethylphenyl)methyl]amino}-3-(4-chlorophenoxy)propan-2-ol
Chemical Structure Depiction of
1-{[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethylphenyl)methyl]amino}-3-(4-chlorophenoxy)propan-2-ol
1-{[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethylphenyl)methyl]amino}-3-(4-chlorophenoxy)propan-2-ol
Compound characteristics
| Compound ID: | V006-0797 |
| Compound Name: | 1-{[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethylphenyl)methyl]amino}-3-(4-chlorophenoxy)propan-2-ol |
| Molecular Weight: | 453.97 |
| Molecular Formula: | C26 H28 Cl N O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc(C)c(CN(CC(COc2ccc(cc2)[Cl])O)Cc2ccc3c(c2)OCO3)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.302 |
| logD: | 5.6998 |
| logSw: | -6.0776 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.913 |
| InChI Key: | AOILCUQZOFFTFQ-QHCPKHFHSA-N |