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Chemical ID: 7678815

COc1cccc(c1)n2c3c(c(=O)n(cn3)CC(=O)N4CCCCCC4)nn2

Chemical ID:

7678815

Name [?]:

None

SMILES [?]:

COc1cccc(c1)n2c3c(c(=O)n(cn3)CC(=O)N4CCCCCC4)nn2

InChi [?]:

InChI=1/C19H22N6O3/c1-28-15-8-6-7-14(11-15)25-18-17(21-22-25)19(27)24(13-20-18)12-16(26)23-9-4-2-3-5-10-23/h6-8,11,13H,2-5,9-10,12H2,1H3

InChi Info:

AuxInfo=1/0/N:1,23,24,22,25,5,6,4,21,26,8,17,15,7,3,18,11,10,12,16,27,28,20,14,9,19,13,2/E:(2,3)(4,5)(9,10)/rA:28nCOCCCCCCNCCCONCNCCONCCCCCCNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d12;s12;s14;s10d15;s14;s17;d18;s18;s20;s21;s22;s23;s24;s20s25;s11;s9d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₂N₆O₃
All Atoms:	50
Heavy Atoms:	28
Chiral Atoms:	None

ZAP Information [?]

Total:	9.5939
Area:	581.253
Solvation:	-4.93742
Coulombic:	-50.4862

Bond Count [?]

All:	31
Single:	23
Double:	8
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	0.92
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