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Chemical ID: 7678693

CC(=O)Nc1ccc(cc1)NC(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)Cl

Chemical ID:

7678693

Name [?]:

None

SMILES [?]:

CC(=O)Nc1ccc(cc1)NC(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)Cl

InChi [?]:

InChI=1/C20H16ClN7O3/c1-12(29)23-14-5-7-15(8-6-14)24-17(30)10-27-11-22-19-18(20(27)31)25-26-28(19)16-4-2-3-13(21)9-16/h2-9,11H,10H2,1H3,(H,23,29)(H,24,30)

InChi Info:

AuxInfo=1/1/N:1,27,28,26,6,10,7,9,30,14,16,2,29,5,8,25,12,19,18,20,31,17,4,11,22,23,15,24,3,13,21/E:(5,6)(7,8)/rA:31nCCONCCCCCCNCOCNCNCCCONNNCCCCCCCl/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;d16;s17;d18;s15s19;d20;s19;d22;s18s23;s24;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₆ClN₇O₃
All Atoms:	47
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	11.1426
Area:	659.317
Solvation:	-5.34036
Coulombic:	-66.3998

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:	0.66
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