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Chemical ID: 4362992

Chemical ID:

4362992

Name [?]:

N-[4-(4-fluorophenyl)-5-propyl-thiazol-2-yl]furan-2-carboxamide

SMILES [?]:

CCCc1c(nc(s1)NC(=O)c2ccco2)c3ccc(cc3)F

InChi [?]:

InChI=1/C17H15FN2O2S/c1-2-4-14-15(11-6-8-12(18)9-7-11)19-17(23-14)20-16(21)13-5-3-10-22-13/h3,5-10H,2,4H2,1H3,(H,19,20,21)

InChi Info:

AuxInfo=1/1/N:1,2,14,3,13,18,22,19,21,15,17,20,12,4,5,10,7,23,6,9,11,16,8/E:(6,7)(8,9)/rA:23nCCCCCNCSNCOCCCCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s9;d10;s10;d12;s13;d14;s12s15;s5;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₅FN₂O₂S
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.72237
Area:	528.03
Solvation:	-3.47838
Coulombic:	-40.4834

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	330.378
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.36
LogP (Chemaxon):	4.39

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

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Chemical Mix	Source	External ID	Descriptor	Value