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Chemical ID: 7679446

CCOc1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)N4CCOCC4)nn2

Chemical ID:

7679446

Name [?]:

None

SMILES [?]:

CCOc1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)N4CCOCC4)nn2

InChi [?]:

InChI=1/C18H20N6O4/c1-2-28-14-5-3-13(4-6-14)24-17-16(20-21-24)18(26)23(12-19-17)11-15(25)22-7-9-27-10-8-22/h3-6,12H,2,7-11H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,6,8,5,9,22,26,23,25,18,16,7,4,19,12,11,13,17,27,28,21,15,10,20,14,24,3/E:(3,4)(5,6)(7,8)(9,10)/rA:28nCCOCCCCCCNCCCONCNCCONCCOCCNN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;s13;s15;s11d16;s15;s18;d19;s19;s21;s22;s23;s24;s21s25;s12;s10d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₀N₆O₄
All Atoms:	48
Heavy Atoms:	28
Chiral Atoms:	None

ZAP Information [?]

Total:	8.46452
Area:	594.29
Solvation:	-6.39273
Coulombic:	-57.6005

Bond Count [?]

All:	31
Single:	23
Double:	8
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	-0.28
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