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Chemical ID: 7732732

Cc1ccc(cc1)S(=O)(=O)NCCc2nnc3n2nc(cc3)N4CCOCC4

Chemical ID:

7732732

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1)S(=O)(=O)NCCc2nnc3n2nc(cc3)N4CCOCC4

InChi [?]:

InChI=1/C18H22N6O3S/c1-14-2-4-15(5-3-14)28(25,26)19-9-8-17-21-20-16-6-7-18(22-24(16)17)23-10-12-27-13-11-23/h2-7,19H,8-13H2,1H3

InChi Info:

AuxInfo=1/0/N:1,3,7,4,6,22,21,13,12,24,28,25,27,2,5,17,14,20,11,16,15,19,23,18,9,10,26,8/E:(2,3)(4,5)(10,11)(12,13)(25,26)/CRV:28.6/rA:28nCCCCCCCSOONCCCNNCNNCCCNCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;d14;s15;d16;s14s17;s18;d19;s20;s17d21;s20;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₂N₆O₃S
All Atoms:	50
Heavy Atoms:	28
Chiral Atoms:	None

ZAP Information [?]

Total:	10.6249
Area:	613.86
Solvation:	-4.72159
Coulombic:	-36.7159

Bond Count [?]

All:	31
Single:	22
Double:	9
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.54
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value