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Chemical ID: 7706520

c1ccc(cc1)NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc3cc(ccc3O)Br

Chemical ID:

7706520

Name [?]:

None

SMILES [?]:

c1ccc(cc1)NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc3cc(ccc3O)Br

InChi [?]:

InChI=1/C22H17BrN4O4/c23-15-10-11-19(28)14(12-15)13-24-27-22(31)21(30)26-18-9-5-4-8-17(18)20(29)25-16-6-2-1-3-7-16/h1-13,28H,(H,25,29)(H,26,30)(H,27,31)

InChi Info:

AuxInfo=1/1/N:1,2,6,12,13,3,5,11,14,27,28,25,23,24,26,4,10,15,29,8,17,19,31,22,7,16,21,30,9,18,20/E:(2,3)(6,7)/rA:31nCCCCCCNCOCCCCCCNCOCONNCCCCCCCOBr/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;d17;s17;d19;s19;s21;w22;s23;s24;d25;s26;d27;d24s28;s29;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₇BrN₄O₄
All Atoms:	48
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	11.1922
Area:	664.134
Solvation:	-5.4112
Coulombic:	-81.2699

Bond Count [?]

All:	33
Single:	20
Double:	13
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.82
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