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Chemical ID: 7716819

COc1cccc(c1)N=c2c(cc3cc4c5c(c3o2)CCCN5CCC4)C(=O)Nc6ccc(cc6)F

Chemical ID:

7716819

Name [?]:

None

SMILES [?]:

COc1cccc(c1)N=c2c(cc3cc4c5c(c3o2)CCCN5CCC4)C(=O)Nc6ccc(cc6)F

InChi [?]:

InChI=1/C29H26FN3O3/c1-35-23-7-2-6-22(17-23)32-29-25(28(34)31-21-11-9-20(30)10-12-21)16-19-15-18-5-3-13-33-14-4-8-24(26(18)33)27(19)36-29/h2,6-7,9-12,15-17H,3-5,8,13-14H2,1H3,(H,31,34)

InChi Info:

AuxInfo=1/1/N:1,5,25,21,26,6,4,20,32,34,31,35,24,22,14,12,8,15,13,33,30,7,3,17,11,16,18,27,10,36,29,9,23,28,2,19/E:(9,10)(11,12)/rA:36cCOCCCCCCNCCCCCCCCCOCCCNCCCCONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;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:	10.0193
Area:	631.057
Solvation:	-5.75714
Coulombic:	-52.0162

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