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Chemical ID: 6459569

Cc1ccc(cc1)S(=O)(=O)Oc2c(cc(cc2Cl)Cl)C=c3c(=O)n4c5ccccc5nc4s3

Chemical ID:

6459569

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1)S(=O)(=O)Oc2c(cc(cc2Cl)Cl)C=c3c(=O)n4c5ccccc5nc4s3

InChi [?]:

InChI=1/C23H14Cl2N2O4S2/c1-13-6-8-16(9-7-13)33(29,30)31-21-14(10-15(24)12-17(21)25)11-20-22(28)27-19-5-3-2-4-18(19)26-23(27)32-20/h2-12H,1H3

InChi Info:

AuxInfo=1/0/N:1,28,27,29,26,3,7,4,6,14,20,16,2,13,15,5,17,30,25,21,12,22,32,19,18,31,24,23,9,10,11,33,8/E:(6,7)(8,9)(29,30)/CRV:33.6/rA:33nCCCCCCCSOOOCCCCCCClClCCCONCCCCCCNCS/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s15;s13;w20;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;s30;s24d31;s21s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₄Cl₂N₂O₄S₂
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	13.293
Area:	645.684
Solvation:	-2.84906
Coulombic:	-34.315

Bond Count [?]

All:	37
Single:	23
Double:	14
Rotors:	4
Chiral:	1
Rigid Segments:	4

Chemical Properties

Molecular Weight:	517.406
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	5.42
LogP (Chemaxon):	6.77

Name Annotations

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

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