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Chemical ID: 5892890

CN(C)c1ccc(cc1C(=O)NCc2ccc(cc2)F)NC(=O)Cc3cccs3

Chemical ID:

5892890

Name [?]:

2-dimethylamino-N-[(4-fluorophenyl)methyl]-5-[2-(2-thienyl)acetyl]amino-benzamide

SMILES [?]:

CN(C)c1ccc(cc1C(=O)NCc2ccc(cc2)F)NC(=O)Cc3cccs3

InChi [?]:

InChI=1/C22H22FN3O2S/c1-26(2)20-10-9-17(25-21(27)13-18-4-3-11-29-18)12-19(20)22(28)24-14-15-5-7-16(23)8-6-15/h3-12H,13-14H2,1-2H3,(H,24,28)(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,3,27,26,15,19,16,18,6,5,28,8,24,13,14,17,7,25,9,4,22,10,20,12,21,2,23,11,29/E:(1,2)(5,6)(7,8)/rA:29nCNCCCCCCCCONCCCCCCCFNCOCCCCCS/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s7;s21;d22;s22;s24;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₂FN₃O₂S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5978
Area:	646.581
Solvation:	-5.56671
Coulombic:	-51.3582

Bond Count [?]

All:	31
Single:	21
Double:	10
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	411.493
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.35
LogP (Chemaxon):	3.71

Name Annotations

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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