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Chemical ID: 7650255

Cc1cc(c2ccc3c(cc(nc3c2n1)C)c4ccc(cc4)S(=O)(=O)O)c5ccc(cc5)S(=O)(=O)O

Chemical ID:

7650255

Name [?]:

None

SMILES [?]:

Cc1cc(c2ccc3c(cc(nc3c2n1)C)c4ccc(cc4)S(=O)(=O)O)c5ccc(cc5)S(=O)(=O)O

InChi [?]:

InChI=1/C26H20N2O6S2/c1-15-13-23(17-3-7-19(8-4-17)35(29,30)31)21-11-12-22-24(14-16(2)28-26(22)25(21)27-15)18-5-9-20(10-6-18)36(32,33)34/h3-14H,1-2H3,(H,29,30,31)(H,32,33,34)

InChi Info:

AuxInfo=1/1/N:1,16,28,32,18,22,29,31,19,21,6,7,3,10,2,11,27,17,30,20,5,8,4,9,14,13,15,12,34,35,36,24,25,26,33,23/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30,31,32,33,34)(35,36)/gE:(1,2)/CRV:35.6,36.6/rA:36nCCCCCCCCCCCNCCNCCCCCCCSOOOCCCCCCSOOO/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;d8s12;d5s13;d2s14;s11;s9;s17;d18;s19;d20;d17s21;s20;d23;d23;s23;s4;s27;d28;s29;d30;d27s31;s30;d33;d33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₀N₂O₆S₂
All Atoms:	56
Heavy Atoms:	36
Chiral Atoms:	None

ZAP Information [?]

Total:	13.254
Area:	723.902
Solvation:	-4.84359
Coulombic:	-43.1397

Bond Count [?]

All:	40
Single:	23
Double:	17
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.79
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value