1-{[(2H-1,3-benzodioxol-5-yl)methyl][(5-methylthiophen-2-yl)methyl]amino}-3-(2-methylphenoxy)propan-2-ol
Chemical Structure Depiction of
1-{[(2H-1,3-benzodioxol-5-yl)methyl][(5-methylthiophen-2-yl)methyl]amino}-3-(2-methylphenoxy)propan-2-ol
1-{[(2H-1,3-benzodioxol-5-yl)methyl][(5-methylthiophen-2-yl)methyl]amino}-3-(2-methylphenoxy)propan-2-ol
Compound characteristics
| Compound ID: | V005-5800 |
| Compound Name: | 1-{[(2H-1,3-benzodioxol-5-yl)methyl][(5-methylthiophen-2-yl)methyl]amino}-3-(2-methylphenoxy)propan-2-ol |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C24 H27 N O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1OCC(CN(Cc1ccc2c(c1)OCO2)Cc1ccc(C)s1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.497 |
| logD: | 4.2531 |
| logSw: | -5.4913 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.018 |
| InChI Key: | OAGUIYUCSFWQTF-FQEVSTJZSA-N |