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Chemical ID: 7716817

COc1ccc(cc1OC)N=c2c(cc3cc4c5c(c3o2)CCCN5CCC4)C(=O)Nc6ccc(cc6)F

Chemical ID:

7716817

Name [?]:

None

SMILES [?]:

COc1ccc(cc1OC)N=c2c(cc3cc4c5c(c3o2)CCCN5CCC4)C(=O)Nc6ccc(cc6)F

InChi [?]:

InChI=1/C30H28FN3O4/c1-36-25-12-11-22(17-26(25)37-2)33-30-24(29(35)32-21-9-7-20(31)8-10-21)16-19-15-18-5-3-13-34-14-4-6-23(27(18)34)28(19)38-30/h7-12,15-17H,3-6,13-14H2,1-2H3,(H,32,35)

InChi Info:

AuxInfo=1/1/N:1,10,27,23,28,22,34,36,33,37,5,4,26,24,16,14,7,17,15,35,32,6,19,13,3,8,18,20,29,12,38,31,11,25,30,2,9,21/E:(7,8)(9,10)/rA:38cCOCCCCCCOCNCCCCCCCCCOCCCNCCCCONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;d13;s14;s15;d16;s17;d18;d15s19;s12s20;s19;s22;s23;s18s24;s25;s26;s17s27;s13;d29;s29;s31;s32;d33;s34;d35;d32s36;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₂₈FN₃O₄
All Atoms:	66
Heavy Atoms:	38
Chiral Atoms:	None

ZAP Information [?]

Total:	8.46858
Area:	660.509
Solvation:	-8.04415
Coulombic:	-57.6465

Bond Count [?]

All:	43
Single:	31
Double:	12
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.66
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