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Chemical ID: 6217893

Chemical ID:

6217893

Name [?]:

N-[4-(4-ethylphenyl)thiazol-2-yl]-3-fluoro-benzamide

SMILES [?]:

CCc1ccc(cc1)c2csc(n2)NC(=O)c3cccc(c3)F

InChi [?]:

InChI=1/C18H15FN2OS/c1-2-12-6-8-13(9-7-12)16-11-23-18(20-16)21-17(22)14-4-3-5-15(19)10-14/h3-11H,2H2,1H3,(H,20,21,22)

InChi Info:

AuxInfo=1/1/N:1,2,19,18,20,4,8,5,7,22,10,3,6,17,21,9,15,12,23,13,14,16,11/E:(6,7)(8,9)/rA:23nCCCCCCCCCCSCNNCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₅FN₂OS
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1412
Area:	530.62
Solvation:	-3.12433
Coulombic:	-32.7688

Bond Count [?]

All:	25
Single:	16
Double:	9
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	326.389
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.89
LogP (Chemaxon):	5.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value