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Chemical ID: 7702389

COc1ccccc1C(=O)NN=Cc2cc(ccc2OC(=O)c3ccc(c(c3)OC)OC)Br

Chemical ID:

7702389

Name [?]:

None

SMILES [?]:

COc1ccccc1C(=O)NN=Cc2cc(ccc2OC(=O)c3ccc(c(c3)OC)OC)Br

InChi [?]:

InChI=1/C24H21BrN2O6/c1-30-20-7-5-4-6-18(20)23(28)27-26-14-16-12-17(25)9-11-19(16)33-24(29)15-8-10-21(31-2)22(13-15)32-3/h4-14H,1-3H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,32,30,6,5,7,4,24,17,25,18,15,28,13,23,14,16,8,19,3,26,27,9,21,33,12,11,10,22,2,31,29,20/rA:33nCOCCCCCCCONNCCCCCCCOCOCCCCCCOCOCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s20;d21;s21;s23;d24;s25;d26;d23s27;s27;s29;s26;s31;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₁BrN₂O₆
All Atoms:	54
Heavy Atoms:	33
Chiral Atoms:	None

ZAP Information [?]

Total:	7.25289
Area:	646.239
Solvation:	-8.90307
Coulombic:	-58.9109

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	10
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.77
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