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Chemical ID: 7707720

CCOc1cc(ccc1OC(=O)c2ccc(cc2)OC)C=NNC(=O)C(C)Oc3ccc4ccccc4c3

Chemical ID:

7707720

Name [?]:

None

SMILES [?]:

CCOc1cc(ccc1OC(=O)c2ccc(cc2)OC)C=NNC(=O)C(C)Oc3ccc4ccccc4c3

InChi [?]:

InChI=1/C30H28N2O6/c1-4-36-28-17-21(9-16-27(28)38-30(34)23-11-13-25(35-3)14-12-23)19-31-32-29(33)20(2)37-26-15-10-22-7-5-6-8-24(22)18-26/h5-20H,4H2,1-3H3,(H,32,33)

InChi Info:

AuxInfo=1/1/N:1,27,20,2,34,35,33,36,7,31,14,18,15,17,30,8,5,38,21,26,6,32,13,37,16,29,9,4,24,11,22,23,25,12,19,3,28,10/E:(11,12)(13,14)/rA:38cCCOCCCCCCOCOCCCCCCOCCNNCOCCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s6;w21;s22;s23;d24;s24;s26;s26;s28;s29;d30;s31;s32;d33;s34;d35;d32s36;d29s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₂₈N₂O₆
All Atoms:	66
Heavy Atoms:	38
Chiral Atoms:	None

ZAP Information [?]

Total:	11.4099
Area:	794.97
Solvation:	-8.46433
Coulombic:	-62.4691

Bond Count [?]

All:	41
Single:	27
Double:	14
Rotors:	12
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	6.95
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