Structure

InChI Key PARMADWNFXEEFC-UHFFFAOYSA-N
Smile CCCCNCC(O)c1ccc(O)cc1.CCCCNCC(O)c1ccc(O)cc1.O=S(=O)(O)O
InChI
InChI=1S/2C12H19NO2.H2O4S/c2*1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10;1-5(2,3)4/h2*4-7,12-15H,2-3,8-9H2,1H3;(H2,1,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H40N2O8S
Molecular Weight 516.66
AlogP 1.82
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 52.49
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 15.0

Cross References

Resources Reference
ChEBI 31251
ChEMBL CHEMBL2106636
FDA SRS W2L3E1W827
PubChem 21955
SureChEMBL SCHEMBL120957