ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7668327

Chemical ID:

7668327

Name [?]:

None

SMILES [?]:

CN(CCCNC(=O)Nc1ccccc1)C(=O)Nc2ccccc2

InChi [?]:

InChI=1/C18H22N4O2/c1-22(18(24)21-16-11-6-3-7-12-16)14-8-13-19-17(23)20-15-9-4-2-5-10-15/h2-7,9-12H,8,13-14H2,1H3,(H,21,24)(H2,19,20,23)

InChi Info:

AuxInfo=1/1/N:1,13,22,12,14,21,23,4,11,15,20,24,5,3,10,19,7,16,6,9,18,2,8,17/E:(4,5)(6,7)(9,10)(11,12)/rA:24nCNCCCNCONCCCCCCCONCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s2;d16;s16;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₂N₄O₂
All Atoms:	46
Heavy Atoms:	24
Chiral Atoms:	None

ZAP Information [?]

Total:	11.0671
Area:	570.751
Solvation:	-3.20169
Coulombic:	-65.9243

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	10
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.12
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