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Chemical ID: 7678922

COc1cccc(c1)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc(cc4)Br)nn2

Chemical ID:

7678922

Name [?]:

None

SMILES [?]:

COc1cccc(c1)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc(cc4)Br)nn2

InChi [?]:

InChI=1/C19H15BrN6O3/c1-29-15-4-2-3-14(9-15)26-18-17(23-24-26)19(28)25(11-21-18)10-16(27)22-13-7-5-12(20)6-8-13/h2-9,11H,10H2,1H3,(H,22,27)

InChi Info:

AuxInfo=1/1/N:1,5,6,4,23,25,22,26,8,17,15,24,21,7,3,18,11,10,12,27,16,20,28,29,14,9,19,13,2/E:(5,6)(7,8)/rA:29nCOCCCCCCNCCCONCNCCONCCCCCCBrNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d12;s12;s14;s10d15;s14;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;s11;s9d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₅BrN₆O₃
All Atoms:	44
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	10.1189
Area:	616.825
Solvation:	-5.30171
Coulombic:	-54.7588

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:	1.92
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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