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Chemical ID: 7720574

Cc1ccc(cc1)S(=O)(=O)c2c3nc(c4c(n3nn2)ccs4)Nc5ccc(c(c5)OC)OC

Chemical ID:

7720574

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1)S(=O)(=O)c2c3nc(c4c(n3nn2)ccs4)Nc5ccc(c(c5)OC)OC

InChi [?]:

InChI=1/C22H19N5O4S2/c1-13-4-7-15(8-5-13)33(28,29)22-21-24-20(19-16(10-11-32-19)27(21)26-25-22)23-14-6-9-17(30-2)18(12-14)31-3/h4-12H,1-3H3,(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,33,31,3,7,25,4,6,26,20,21,29,2,24,5,16,27,28,15,14,12,11,23,13,19,18,17,9,10,32,30,22,8/E:(4,5)(7,8)(28,29)/CRV:33.6/rA:33nCCCCCCCSOOCCNCCCNNNCCSNCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;d11;s12;d13;s14;d15;s12s16;s17;s11d18;s16;d20;s15s21;s14;s23;s24;d25;s26;d27;d24s28;s28;s30;s27;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₉N₅O₄S₂
All Atoms:	52
Heavy Atoms:	33
Chiral Atoms:	None

ZAP Information [?]

Total:	10.0798
Area:	640.539
Solvation:	-5.93369
Coulombic:	-42.9841

Bond Count [?]

All:	37
Single:	24
Double:	13
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.84
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