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Chemical ID: 5455027

Chemical ID:

5455027

Name [?]:

N-[5-[(2-fluorophenyl)methyl]thiazol-2-yl]-4-propoxy-benzamide

SMILES [?]:

CCCOc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccccc3F

InChi [?]:

InChI=1/C20H19FN2O2S/c1-2-11-25-16-9-7-14(8-10-16)19(24)23-20-22-13-17(26-20)12-15-5-3-4-6-18(15)21/h3-10,13H,2,11-12H2,1H3,(H,22,23,24)

InChi Info:

AuxInfo=1/1/N:1,2,22,23,21,24,7,9,6,10,3,19,16,8,20,5,17,25,11,14,26,15,13,12,4,18/E:(7,8)(9,10)/rA:26nCCCOCCCCCCCONCNCCSCCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;d14;s15;d16;s14s17;s17;s19;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₉FN₂O₂S
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	10.0676
Area:	597.223
Solvation:	-4.86299
Coulombic:	-39.0726

Bond Count [?]

All:	28
Single:	19
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	370.442
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.8
LogP (Chemaxon):	4.74

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