1-{[(2H-1,3-benzodioxol-5-yl)methyl][(thiophen-2-yl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Chemical Structure Depiction of
1-{[(2H-1,3-benzodioxol-5-yl)methyl][(thiophen-2-yl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
1-{[(2H-1,3-benzodioxol-5-yl)methyl][(thiophen-2-yl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Compound characteristics
| Compound ID: | V012-0838 |
| Compound Name: | 1-{[(2H-1,3-benzodioxol-5-yl)methyl][(thiophen-2-yl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol |
| Molecular Weight: | 359.44 |
| Molecular Formula: | C19 H21 N O4 S |
| Salt: | not_available |
| Smiles: | C#CCOCC(CN(Cc1ccc2c(c1)OCO2)Cc1cccs1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.764 |
| logD: | 2.5503 |
| logSw: | -2.8561 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.056 |
| InChI Key: | XGWFUHUIIXVAQX-INIZCTEOSA-N |