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Chemical ID: 7678999

CC(=O)c1ccc(cc1)NC(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)OC

Chemical ID:

7678999

Name [?]:

None

SMILES [?]:

CC(=O)c1ccc(cc1)NC(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)OC

InChi [?]:

InChI=1/C21H18N6O4/c1-13(28)14-6-8-15(9-7-14)23-18(29)11-26-12-22-20-19(21(26)30)24-25-27(20)16-4-3-5-17(10-16)31-2/h3-10,12H,11H2,1-2H3,(H,23,29)

InChi Info:

AuxInfo=1/1/N:1,31,26,25,27,5,9,6,8,29,13,15,2,4,7,24,28,11,18,17,19,16,10,21,22,14,23,3,12,20,30/E:(6,7)(8,9)/rA:31nCCOCCCCCCNCOCNCNCCCONNNCCCCCCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s16;d17;s14s18;d19;s18;d21;s17s22;s23;s24;d25;s26;d27;d24s28;s28;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₈N₆O₄
All Atoms:	49
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	9.70117
Area:	646.066
Solvation:	-6.45048
Coulombic:	-61.4433

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	0.96
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