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Chemical ID: 5938642

CN(c1ccccc1)c2nc(cs2)c3ccc(cc3)NC(=O)c4ccc(cc4)F

Chemical ID:

5938642

Name [?]:

4-fluoro-N-[4-[2-(methyl-phenyl-amino)thiazol-4-yl]phenyl]-benzamide

SMILES [?]:

CN(c1ccccc1)c2nc(cs2)c3ccc(cc3)NC(=O)c4ccc(cc4)F

InChi [?]:

InChI=1/C23H18FN3OS/c1-27(20-5-3-2-4-6-20)23-26-21(15-29-23)16-9-13-19(14-10-16)25-22(28)17-7-11-18(24)12-8-17/h2-15H,1H3,(H,25,28)

InChi Info:

AuxInfo=1/1/N:1,6,5,7,4,8,24,28,15,19,25,27,16,18,12,14,23,26,17,3,11,21,9,29,20,10,2,22,13/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:29nCNCCCCCCCNCCSCCCCCCNCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₈FN₃OS
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.9765
Area:	626.839
Solvation:	-3.69445
Coulombic:	-40.0617

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	403.473
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.76
LogP (Chemaxon):	6.08

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