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Chemical ID: 7687697

CCOc1cc(ccc1OCC(=O)Nc2cccc(c2)C)C=C3C(=NN(C3=O)c4cccc(c4)C(=O)O)C

Chemical ID:

7687697

Name [?]:

None

SMILES [?]:

CCOc1cc(ccc1OCC(=O)Nc2cccc(c2)C)C=C3C(=NN(C3=O)c4cccc(c4)C(=O)O)C

InChi [?]:

InChI=1/C29H27N3O6/c1-4-37-26-15-20(11-12-25(26)38-17-27(33)30-22-9-5-7-18(2)13-22)14-24-19(3)31-32(28(24)34)23-10-6-8-21(16-23)29(35)36/h5-16H,4,17H2,1-3H3,(H,30,33)(H,35,36)

InChi Info:

AuxInfo=1/1/N:1,21,38,2,17,31,18,32,16,30,7,8,20,22,5,34,11,19,24,6,33,15,29,23,9,4,12,27,35,14,25,26,13,28,36,37,3,10/E:(35,36)/rA:38nCCOCCCCCCOCCONCCCCCCCCCCNNCOCCCCCCCOOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s6;w22;s23;d24;s25;s23s26;d27;s26;s29;d30;s31;d32;d29s33;s33;d35;s35;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₇N₃O₆
All Atoms:	65
Heavy Atoms:	38
Chiral Atoms:	None

ZAP Information [?]

Total:	11.4291
Area:	792.025
Solvation:	-8.37151
Coulombic:	-78.2515

Bond Count [?]

All:	41
Single:	27
Double:	14
Rotors:	10
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.54
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