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Chemical ID: 7729503

COc1ccc(cc1OC)n2c3c(c(=O)n(cn3)CC(=O)N4CCCCCC4)nn2

Chemical ID:

7729503

Name [?]:

None

SMILES [?]:

COc1ccc(cc1OC)n2c3c(c(=O)n(cn3)CC(=O)N4CCCCCC4)nn2

InChi [?]:

InChI=1/C20H24N6O4/c1-29-15-8-7-14(11-16(15)30-2)26-19-18(22-23-26)20(28)25(13-21-19)12-17(27)24-9-5-3-4-6-10-24/h7-8,11,13H,3-6,9-10,12H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,10,25,26,24,27,5,4,23,28,7,19,17,6,3,8,20,13,12,14,18,29,30,22,16,11,21,15,2,9/E:(3,4)(5,6)(9,10)/rA:30nCOCCCCCCOCNCCCONCNCCONCCCCCCNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s13;d14;s14;s16;s12d17;s16;s19;d20;s20;s22;s23;s24;s25;s26;s22s27;s13;s11d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₄N₆O₄
All Atoms:	54
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	8.54935
Area:	618.49
Solvation:	-6.91289
Coulombic:	-56.5681

Bond Count [?]

All:	33
Single:	25
Double:	8
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	0.57
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

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

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