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Chemical ID: 7721342

CC(C)Nc1c2c(ccs2)n3c(n1)c(nn3)S(=O)(=O)c4ccc(cc4)Cl

Chemical ID:

7721342

Name [?]:

None

SMILES [?]:

CC(C)Nc1c2c(ccs2)n3c(n1)c(nn3)S(=O)(=O)c4ccc(cc4)Cl

InChi [?]:

InChI=1/C16H14ClN5O2S2/c1-9(2)18-14-13-12(7-8-25-13)22-15(19-14)16(20-21-22)26(23,24)11-5-3-10(17)4-6-11/h3-9H,1-2H3,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,3,22,24,21,25,8,9,2,23,20,7,6,5,12,14,26,4,13,15,16,11,18,19,10,17/E:(1,2)(3,4)(5,6)(23,24)/CRV:26.6/rA:26nCCCNCCCCCSNCNCNNSOOCCCCCCCl/rB:s1;s2;s2;s4;s5;d6;s7;d8;s6s9;s7;s11;d5s12;d12;s14;s11d15;s14;d17;d17;s17;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₄ClN₅O₂S₂
All Atoms:	40
Heavy Atoms:	26
Chiral Atoms:	None

ZAP Information [?]

Total:	12.09
Area:	569.452
Solvation:	-2.14632
Coulombic:	-30.4202

Bond Count [?]

All:	29
Single:	19
Double:	10
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.78
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

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

Chemical Mix	Source	External ID	Descriptor	Value