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Chemical ID: 7038065

CCCCCCOc1ccc(cc1OC)C(NC(=O)c2ccccc2F)NC(=O)c3ccccc3F

Chemical ID:

7038065

Name [?]:

2-fluoro-N-[(2-fluorobenzoyl)amino-(4-hexoxy-3-methoxy-phenyl)-methyl]-benzamide

SMILES [?]:

CCCCCCOc1ccc(cc1OC)C(NC(=O)c2ccccc2F)NC(=O)c3ccccc3F

InChi [?]:

InChI=1/C28H30F2N2O4/c1-3-4-5-10-17-36-24-16-15-19(18-25(24)35-2)26(31-27(33)20-11-6-8-13-22(20)29)32-28(34)21-12-7-9-14-23(21)30/h6-9,11-16,18,26H,3-5,10,17H2,1-2H3,(H,31,33)(H,32,34)

InChi Info:

AuxInfo=1/1/N:1,15,2,3,4,22,32,23,33,5,21,31,24,34,10,9,6,12,11,20,30,25,35,8,13,16,18,28,26,36,17,27,19,29,14,7/E:(6,7)(8,9)(11,12)(13,14)(20,21)(22,23)(27,28)(29,30)(31,32)(33,34)/gE:(1,2)/rA:36nCCCCCCOCCCCCCOCCNCOCCCCCCFNCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s11;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;s16;s27;d28;s28;s30;d31;s32;d33;d30s34;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₀F₂N₂O₄
All Atoms:	66
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	9.16471
Area:	764.143
Solvation:	-9.93886
Coulombic:	-65.1503

Bond Count [?]

All:	38
Single:	27
Double:	11
Rotors:	14
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	496.546
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	6.97
LogP (Chemaxon):	5.6

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value