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Chemical ID: 7703849

CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)C(C)Oc3cccc4c3cccc4

Chemical ID:

7703849

Name [?]:

None

SMILES [?]:

CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)C(C)Oc3cccc4c3cccc4

InChi [?]:

InChI=1/C29H27ClN2O4/c1-3-34-28-17-22(13-16-27(28)35-19-21-11-14-24(30)15-12-21)18-31-32-29(33)20(2)36-26-10-6-8-23-7-4-5-9-25(23)26/h4-18,20H,3,19H2,1-2H3,(H,32,33)

InChi Info:

AuxInfo=1/1/N:1,25,2,35,34,29,36,30,33,28,13,17,7,14,16,8,5,19,11,24,12,6,31,15,32,27,9,4,22,18,20,21,23,3,10,26/E:(11,12)(14,15)/rA:36cCCOCCCCCCOCCCCCCCClCNNCOCCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;w19;s20;s21;d22;s22;s24;s24;s26;s27;d28;s29;d30;d27s31;s32;d33;s34;s31d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₇ClN₂O₄
All Atoms:	63
Heavy Atoms:	36
Chiral Atoms:	None

ZAP Information [?]

Total:	10.4147
Area:	773.408
Solvation:	-8.92055
Coulombic:	-43.4057

Bond Count [?]

All:	39
Single:	26
Double:	13
Rotors:	11
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	7.78
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