- InChI
- InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)
- InChI Key
- UNRHXEPDKXPRTM-UHFFFAOYSA-N
- Formula
- C17H26N2O4S
- SMILES
-
CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)
CC)ccc1OC - Molecular Weight1
- 354.46
- CAS
- 53583-79-2
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -3.14 | Crippen Calculated Property | |
| logPoct/wat | 1.703 | Crippen Calculated Property | |
| McVol | 271.260 | ml/mol | McGowan Calculated Property |
| Inp | [3065.00; 3065.00] |
|
|
| Inp | 3065.00 | NIST | |
| Inp | 3065.00 | NIST |
Similar Compounds
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Sources
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