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Chemical ID: 7702950

CC(C(=O)NN=Cc1ccc(cc1)OC(=O)c2ccc(c(c2)OC)OC)Oc3ccc(cc3)c4ccccc4

Chemical ID:

7702950

Name [?]:

None

SMILES [?]:

CC(C(=O)NN=Cc1ccc(cc1)OC(=O)c2ccc(c(c2)OC)OC)Oc3ccc(cc3)c4ccccc4

InChi [?]:

InChI=1/C31H28N2O6/c1-21(38-26-16-11-24(12-17-26)23-7-5-4-6-8-23)30(34)33-32-20-22-9-14-27(15-10-22)39-31(35)25-13-18-28(36-2)29(19-25)37-3/h4-21H,1-3H3,(H,33,34)

InChi Info:

AuxInfo=1/1/N:1,26,24,37,36,38,35,39,9,13,30,32,18,10,12,29,33,19,22,7,2,8,34,31,17,28,11,20,21,3,15,6,5,4,16,25,23,27,14/E:(5,6)(7,8)(9,10)(11,12)(14,15)(16,17)/rA:39cCCCONNCCCCCCCOCOCCCCCCOCOCOCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s2;s27;s28;d29;s30;d31;d28s32;s31;s34;d35;s36;d37;d34s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₂₈N₂O₆
All Atoms:	67
Heavy Atoms:	39
Chiral Atoms:	None

ZAP Information [?]

Total:	10.9382
Area:	821.591
Solvation:	-9.60152
Coulombic:	-61.76

Bond Count [?]

All:	42
Single:	27
Double:	15
Rotors:	12
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	7.21
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