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Chemical ID: 7679354

CC(=O)Nc1cccc(c1)NC(=O)Cn2cnc3c(c2=O)nnn3c4ccc(cc4)OC

Chemical ID:

7679354

Name [?]:

None

SMILES [?]:

CC(=O)Nc1cccc(c1)NC(=O)Cn2cnc3c(c2=O)nnn3c4ccc(cc4)OC

InChi [?]:

InChI=1/C21H19N7O4/c1-13(29)23-14-4-3-5-15(10-14)24-18(30)11-27-12-22-20-19(21(27)31)25-26-28(20)16-6-8-17(32-2)9-7-16/h3-10,12H,11H2,1-2H3,(H,23,29)(H,24,30)

InChi Info:

AuxInfo=1/1/N:1,32,7,6,8,26,30,27,29,10,14,16,2,5,9,25,28,12,19,18,20,17,4,11,22,23,15,24,3,13,21,31/E:(6,7)(8,9)/rA:32nCCONCCCCCCNCOCNCNCCCONNNCCCCCCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s14;s15;d16;s17;d18;s15s19;d20;s19;d22;s18s23;s24;s25;d26;s27;d28;d25s29;s28;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₉N₇O₄
All Atoms:	51
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	9.89435
Area:	664.812
Solvation:	-6.72596
Coulombic:	-72.5357

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	0.37
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