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Chemical ID: 7677762

c1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc5c(c4)OCCO5)nn2

Chemical ID:

7677762

Name [?]:

None

SMILES [?]:

c1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc5c(c4)OCCO5)nn2

InChi [?]:

InChI=1/C20H16N6O4/c27-17(22-13-6-7-15-16(10-13)30-9-8-29-15)11-25-12-21-19-18(20(25)28)23-24-26(19)14-4-2-1-3-5-14/h1-7,10,12H,8-9,11H2,(H,22,27)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,20,21,27,26,24,15,13,19,4,22,23,16,9,8,10,14,18,29,30,12,7,17,11,28,25/E:(2,3)(4,5)/rA:30nCCCCCCNCCCONCNCCONCCCCCCOCCONN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s10;s12;s8d13;s12;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s25;s26;s22s27;s9;s7d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₆N₆O₄
All Atoms:	46
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	9.59097
Area:	603.513
Solvation:	-5.49685
Coulombic:	-63.8075

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	0.83
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