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Chemical ID: 5938459

CN(c1nc(cs1)c2ccc(cc2)NC(=O)c3ccccc3F)C4CCCCC4

Chemical ID:

5938459

Name [?]:

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

SMILES [?]:

CN(c1nc(cs1)c2ccc(cc2)NC(=O)c3ccccc3F)C4CCCCC4

InChi [?]:

InChI=1/C23H24FN3OS/c1-27(18-7-3-2-4-8-18)23-26-21(15-29-23)16-11-13-17(14-12-16)25-22(28)19-9-5-6-10-20(19)24/h5-6,9-15,18H,2-4,7-8H2,1H3,(H,25,28)

InChi Info:

AuxInfo=1/1/N:1,27,26,28,19,20,25,29,18,21,9,13,10,12,6,8,11,24,17,22,5,15,3,23,14,4,2,16,7/E:(3,4)(7,8)(11,12)(13,14)/rA:29nCNCNCCSCCCCCCNCOCCCCCCFCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s5;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;s2;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₄FN₃OS
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	11.7351
Area:	634.054
Solvation:	-4.11621
Coulombic:	-39.289

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	409.521
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	6.03
LogP (Chemaxon):	6.43

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