Structure

InChI Key XSFWDHONRBZVEJ-UHFFFAOYSA-N
Smile Cl.Cn1c(=O)c2c(ncn2CCCNCC(O)c2cc(O)cc(O)c2)n(C)c1=O
InChI
InChI=1S/C18H23N5O5.ClH/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11;/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H24ClN5O5
Molecular Weight 425.87
AlogP -0.44
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 134.54
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 28.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2104771
FDA SRS Y4I1COJ8W8
PubChem 3032600
SureChEMBL SCHEMBL637198