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Chemical ID: 7720571

Cc1ccc(cc1)S(=O)(=O)c2c3nc(c4c(n3nn2)ccs4)Nc5cccc(c5)OC

Chemical ID:

7720571

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1)S(=O)(=O)c2c3nc(c4c(n3nn2)ccs4)Nc5cccc(c5)OC

InChi [?]:

InChI=1/C21H17N5O3S2/c1-13-6-8-16(9-7-13)31(27,28)21-20-23-19(22-14-4-3-5-15(12-14)29-2)18-17(10-11-30-18)26(20)25-24-21/h3-12H,1-2H3,(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,31,26,25,27,3,7,4,6,20,21,29,2,24,28,5,16,15,14,12,11,23,13,19,18,17,9,10,30,22,8/E:(6,7)(8,9)(27,28)/CRV:31.6/rA:31nCCCCCCCSOOCCNCCCNNNCCSNCCCCCCOC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₇N₅O₃S₂
All Atoms:	48
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	11.5021
Area:	611.406
Solvation:	-3.78309
Coulombic:	-37.021

Bond Count [?]

All:	35
Single:	22
Double:	13
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.19
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