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Chemical ID: 7678061

Cc1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)NCc4ccccc4Cl)nn2

Chemical ID:

7678061

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)NCc4ccccc4Cl)nn2

InChi [?]:

InChI=1/C20H17ClN6O2/c1-13-6-8-15(9-7-13)27-19-18(24-25-27)20(29)26(12-23-19)11-17(28)22-10-14-4-2-3-5-16(14)21/h2-9,12H,10-11H2,1H3,(H,22,28)

InChi Info:

AuxInfo=1/1/N:1,23,24,22,25,3,7,4,6,20,16,14,2,21,5,26,17,10,9,11,27,19,15,28,29,13,8,18,12/E:(6,7)(8,9)/rA:29nCCCCCCCNCCCONCNCCONCCCCCCCClNN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s11;s13;s9d14;s13;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s26;s10;s8d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₇ClN₆O₂
All Atoms:	46
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	11.8073
Area:	627.586
Solvation:	-3.88234
Coulombic:	-50.2747

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.41
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