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Chemical ID: 7705958

CCOc1ccc(cc1)C(=O)Oc2ccc(cc2OCC)C=NNC(=O)C(C)Oc3ccc4ccccc4c3

Chemical ID:

7705958

Name [?]:

None

SMILES [?]:

CCOc1ccc(cc1)C(=O)Oc2ccc(cc2OCC)C=NNC(=O)C(C)Oc3ccc4ccccc4c3

InChi [?]:

InChI=1/C31H30N2O6/c1-4-36-26-14-12-24(13-15-26)31(35)39-28-17-10-22(18-29(28)37-5-2)20-32-33-30(34)21(3)38-27-16-11-23-8-6-7-9-25(23)19-27/h6-21H,4-5H2,1-3H3,(H,33,34)

InChi Info:

AuxInfo=1/1/N:1,21,28,2,20,35,36,34,37,15,32,6,8,5,9,31,14,17,39,22,27,16,33,7,38,4,30,13,18,25,10,23,24,26,11,3,19,29,12/E:(12,13)(14,15)/rA:39cCCOCCCCCCCOOCCCCCCOCCCNNCOCCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s20;s16;w22;s23;s24;d25;s25;s27;s27;s29;s30;d31;s32;s33;d34;s35;d36;d33s37;d30s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₃₀N₂O₆
All Atoms:	69
Heavy Atoms:	39
Chiral Atoms:	None

ZAP Information [?]

Total:	11.9581
Area:	810.4
Solvation:	-8.30184
Coulombic:	-62.8118

Bond Count [?]

All:	42
Single:	28
Double:	14
Rotors:	13
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	7.38
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

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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