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Chemical ID: 7706714

CC(C(=O)NN=Cc1cc(ccc1OC(=O)c2ccccc2)Br)Oc3ccc4ccccc4c3

Chemical ID:

7706714

Name [?]:

None

SMILES [?]:

CC(C(=O)NN=Cc1cc(ccc1OC(=O)c2ccccc2)Br)Oc3ccc4ccccc4c3

InChi [?]:

InChI=1/C27H21BrN2O4/c1-18(33-24-13-11-19-7-5-6-10-21(19)16-24)26(31)30-29-17-22-15-23(28)12-14-25(22)34-27(32)20-8-3-2-4-9-20/h2-18H,1H3,(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,20,19,21,30,31,29,18,22,32,27,11,26,12,9,34,7,2,28,17,33,8,10,25,13,3,15,23,6,5,4,16,24,14/E:(3,4)(8,9)/rA:34cCCCONNCCCCCCCOCOCCCCCCBrOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s10;s2;s24;s25;d26;s27;s28;d29;s30;d31;d28s32;d25s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₁BrN₂O₄
All Atoms:	55
Heavy Atoms:	34
Chiral Atoms:	None

ZAP Information [?]

Total:	12.1859
Area:	705.447
Solvation:	-5.45024
Coulombic:	-49.2977

Bond Count [?]

All:	37
Single:	23
Double:	14
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	7.77
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