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Chemical ID: 7712923

COc1ccc(cc1)N=c2c(cc3cc4c5c(c3o2)CCCN5CCC4)C(=O)Nc6ccc(cc6)F

Chemical ID:

7712923

Name [?]:

None

SMILES [?]:

COc1ccc(cc1)N=c2c(cc3cc4c5c(c3o2)CCCN5CCC4)C(=O)Nc6ccc(cc6)F

InChi [?]:

InChI=1/C29H26FN3O3/c1-35-23-12-10-22(11-13-23)32-29-25(28(34)31-21-8-6-20(30)7-9-21)17-19-16-18-4-2-14-33-15-3-5-24(26(18)33)27(19)36-29/h6-13,16-17H,2-5,14-15H2,1H3,(H,31,34)

InChi Info:

AuxInfo=1/1/N:1,25,21,26,20,32,34,31,35,5,7,4,8,24,22,14,12,15,13,33,30,6,3,17,11,16,18,27,10,36,29,9,23,28,2,19/E:(6,7)(8,9)(10,11)(12,13)/rA:36cCOCCCCCCNCCCCCCCCCOCCCNCCCCONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s12;s13;d14;s15;d16;d13s17;s10s18;s17;s20;s21;s16s22;s23;s24;s15s25;s11;d27;s27;s29;s30;d31;s32;d33;d30s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₆FN₃O₃
All Atoms:	62
Heavy Atoms:	36
Chiral Atoms:	None

ZAP Information [?]

Total:	9.49997
Area:	629.649
Solvation:	-6.24125
Coulombic:	-51.4875

Bond Count [?]

All:	41
Single:	29
Double:	12
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.01
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