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Chemical ID: 4936533

c1ccc2cc(ccc2c1)CN(CCCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F

Chemical ID:

4936533

Name [?]:

2,2,2-trifluoro-N-[4-[2-naphthylmethyl-[3-(2,2,2-trifluoroacetyl)aminopropyl]amino]butyl]acetamide

SMILES [?]:

c1ccc2cc(ccc2c1)CN(CCCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F

InChi [?]:

InChI=1/C22H25F6N3O2/c23-21(24,25)19(32)29-10-3-4-12-31(13-5-11-30-20(33)22(26,27)28)15-16-8-9-17-6-1-2-7-18(17)14-16/h1-2,6-9,14H,3-5,10-13,15H2,(H,29,32)(H,30,33)

InChi Info:

AuxInfo=1/1/N:1,2,15,14,25,10,3,7,8,16,26,13,24,5,11,6,9,4,18,28,20,30,21,22,23,31,32,33,17,27,12,19,29/E:(23,24,25)(26,27,28)/rA:33cCCCCCCCCCCCNCCCCNCOCFFFCCCNCOCFFF/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;s12;s13;s14;s15;s16;s17;d18;s18;s20;s20;s20;s12;s24;s25;s26;s27;d28;s28;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₅F₆N₃O₂
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	13.3804
Area:	712.115
Solvation:	-4.42251
Coulombic:	-93.3926

Bond Count [?]

All:	34
Single:	27
Double:	7
Rotors:	15
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	477.443
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.51
LogP (Chemaxon):	3.45

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

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Chemical Mix	Source	External ID	Descriptor	Value