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Chemical ID: 7678892

Cc1cc(c(c(c1)C)NC(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)OC)C

Chemical ID:

7678892

Name [?]:

None

SMILES [?]:

Cc1cc(c(c(c1)C)NC(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)OC)C

InChi [?]:

InChI=1/C22H22N6O3/c1-13-8-14(2)19(15(3)9-13)24-18(29)11-27-12-23-21-20(22(27)30)25-26-28(21)16-6-5-7-17(10-16)31-4/h5-10,12H,11H2,1-4H3,(H,24,29)

InChi Info:

AuxInfo=1/1/N:1,8,31,30,25,24,26,7,3,28,12,14,2,6,4,23,27,10,5,17,16,18,15,9,20,21,13,22,11,19,29/E:(2,3)(8,9)(14,15)/rA:31nCCCCCCCCNCOCNCNCCCONNNCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s15;d16;s13s17;d18;s17;d20;s16s21;s22;s23;d24;s25;d26;d23s27;s27;s29;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₂N₆O₃
All Atoms:	53
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	10.5414
Area:	639.18
Solvation:	-5.4381
Coulombic:	-54.3584

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.01
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