ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7698646

Chemical ID:

7698646

Name [?]:

None

SMILES [?]:

CN(Cc1ccccc1)C(=O)C2CCCN(C2)Cc3ccccc3OC

InChi [?]:

InChI=1/C22H28N2O2/c1-23(15-18-9-4-3-5-10-18)22(25)20-12-8-14-24(17-20)16-19-11-6-7-13-21(19)26-2/h3-7,9-11,13,20H,8,12,14-17H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,26,7,6,8,21,22,14,5,9,20,13,23,15,3,18,17,4,19,12,24,10,2,16,11,25/E:(4,5)(9,10)/rA:26cCNCCCCCCCCOCCCCNCCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;d10;s10;s12;s13;s14;s15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₈N₂O₂
All Atoms:	54
Heavy Atoms:	26
Chiral Atoms:	None

ZAP Information [?]

Total:	9.93974
Area:	574.47
Solvation:	-4.422
Coulombic:	-30.0364

Bond Count [?]

All:	28
Single:	21
Double:	7
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.25
LogP (Chemaxon):	None

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

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

Chemical Mix	Source	External ID	Descriptor	Value