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Chemical ID: 4702225

Chemical ID:

4702225

Name [?]:

N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]thiazole-4-carboxamide

SMILES [?]:

COc1ccc(cc1)Cc2nc(cs2)C(=O)Nc3ccc(cc3)F

InChi [?]:

InChI=1/C18H15FN2O2S/c1-23-15-8-2-12(3-9-15)10-17-21-16(11-24-17)18(22)20-14-6-4-13(19)5-7-14/h2-9,11H,10H2,1H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,5,7,20,22,19,23,4,8,9,13,6,21,18,3,12,10,15,24,17,11,16,2,14/E:(2,3)(4,5)(6,7)(8,9)/rA:24nCOCCCCCCCCNCCSCONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s10s13;s12;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₅FN₂O₂S
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.62369
Area:	547.365
Solvation:	-4.06044
Coulombic:	-39.6239

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	342.388
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.35
LogP (Chemaxon):	3.87

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