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Chemical ID: 7462695

COc1ccc(cc1OC)CCN2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(cc5)N(=O)=O

Chemical ID:

7462695

Name [?]:

None

SMILES [?]:

COc1ccc(cc1OC)CCN2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(cc5)N(=O)=O

InChi [?]:

InChI=1/C27H22N2O7/c1-34-21-12-7-16(15-22(21)35-2)13-14-28-24(17-8-10-18(11-9-17)29(32)33)23-25(30)19-5-3-4-6-20(19)36-26(23)27(28)31/h3-12,15,24H,13-14H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,10,20,21,19,22,5,29,33,30,32,4,11,12,7,6,28,31,18,23,3,8,15,14,16,25,26,13,34,17,27,35,36,2,9,24/E:(8,9)(10,11)(32,33)/CRV:29.5/rA:36cCOCCCCCCOCCCNCCCOCCCCCCOCCOCCCCCCNOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d15s24;s13s25;d26;s14;s28;d29;s30;d31;d28s32;s31;d34;d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₂N₂O₇
All Atoms:	58
Heavy Atoms:	36
Chiral Atoms:	None

ZAP Information [?]

Total:	4.85376
Area:	699.45
Solvation:	-12.6325
Coulombic:	-61.0078

Bond Count [?]

All:	40
Single:	26
Double:	14
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.74
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