ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7664109

Chemical ID:

7664109

Name [?]:

None

SMILES [?]:

CN(C)C(CNC(=S)NCCc1ccccc1)c2cccnc2

InChi [?]:

InChI=1/C18H24N4S/c1-22(2)17(16-9-6-11-19-13-16)14-21-18(23)20-12-10-15-7-4-3-5-8-15/h3-9,11,13,17H,10,12,14H2,1-2H3,(H2,20,21,23)

InChi Info:

AuxInfo=1/1/N:1,3,15,14,16,20,13,17,19,11,21,10,23,5,12,18,4,7,22,9,6,2,8/E:(1,2)(4,5)(7,8)/rA:23cCNCCCNCSNCCCCCCCCCCCCNC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;s12;d13;s14;d15;d12s16;s4;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₄N₄S
All Atoms:	47
Heavy Atoms:	23
Chiral Atoms:	None

ZAP Information [?]

Total:	11.6546
Area:	566.295
Solvation:	-2.50281
Coulombic:	-36.3658

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.41
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