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Chemical ID: 7679326

COc1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc5c(c4)OCCO5)nn2

Chemical ID:

7679326

Name [?]:

None

SMILES [?]:

COc1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc5c(c4)OCCO5)nn2

InChi [?]:

InChI=1/C21H18N6O5/c1-30-15-5-3-14(4-6-15)27-20-19(24-25-27)21(29)26(12-22-20)11-18(28)23-13-2-7-16-17(10-13)32-9-8-31-16/h2-7,10,12H,8-9,11H2,1H3,(H,23,28)

InChi Info:

AuxInfo=1/1/N:1,22,5,7,4,8,23,29,28,26,17,15,21,6,3,24,25,18,11,10,12,16,20,31,32,14,9,19,13,2,30,27/E:(3,4)(5,6)/rA:32nCOCCCCCCNCCCONCNCCONCCCCCCOCCONN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s12;s14;s10d15;s14;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;s27;s28;s24s29;s11;s9d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₈N₆O₅
All Atoms:	50
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	9.26953
Area:	643.399
Solvation:	-6.81544
Coulombic:	-69.842

Bond Count [?]

All:	36
Single:	25
Double:	11
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	0.74
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