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Chemical ID: 7677798

c1ccc(cc1)CCNC(=O)Cn2cnc3c(c2=O)nnn3c4ccccc4

Chemical ID:

7677798

Name [?]:

None

SMILES [?]:

c1ccc(cc1)CCNC(=O)Cn2cnc3c(c2=O)nnn3c4ccccc4

InChi [?]:

InChI=1/C20H18N6O2/c27-17(21-12-11-15-7-3-1-4-8-15)13-25-14-22-19-18(20(25)28)23-24-26(19)16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,21,27)

InChi Info:

AuxInfo=1/1/N:1,26,2,6,25,27,3,5,24,28,7,8,12,14,4,23,10,17,16,18,9,15,20,21,13,22,11,19/E:(3,4)(5,6)(7,8)(9,10)/rA:28nCCCCCCCCNCOCNCNCCCONNNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;s13s17;d18;s17;d20;s16s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₈N₆O₂
All Atoms:	46
Heavy Atoms:	28
Chiral Atoms:	None

ZAP Information [?]

Total:	11.1622
Area:	606.563
Solvation:	-4.00192
Coulombic:	-50.3336

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.51
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