1-{[(2H-1,3-benzodioxol-5-yl)methyl][(5-methylthiophen-2-yl)methyl]amino}-3-[(prop-2-en-1-yl)oxy]propan-2-ol
Chemical Structure Depiction of
1-{[(2H-1,3-benzodioxol-5-yl)methyl][(5-methylthiophen-2-yl)methyl]amino}-3-[(prop-2-en-1-yl)oxy]propan-2-ol
1-{[(2H-1,3-benzodioxol-5-yl)methyl][(5-methylthiophen-2-yl)methyl]amino}-3-[(prop-2-en-1-yl)oxy]propan-2-ol
Compound characteristics
| Compound ID: | V008-9235 |
| Compound Name: | 1-{[(2H-1,3-benzodioxol-5-yl)methyl][(5-methylthiophen-2-yl)methyl]amino}-3-[(prop-2-en-1-yl)oxy]propan-2-ol |
| Molecular Weight: | 375.49 |
| Molecular Formula: | C20 H25 N O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(CN(CC(COCC=C)O)Cc2ccc3c(c2)OCO3)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5692 |
| logD: | 2.2974 |
| logSw: | -3.5888 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.056 |
| InChI Key: | WXRYDFRJDKKBRF-KRWDZBQOSA-N |