Chemical ID: 5449054

c1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccccc3F
Chemical ID:
5449054
Name [?]:
N-[5-[(2-fluorophenyl)methyl]thiazol-2-yl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccccc3F
InChi [?]:
InChI=1/C17H13FN2OS/c18-15-9-5-4-8-13(15)10-14-11-19-17(22-14)20-16(21)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,19,3,5,17,20,15,12,4,16,13,21,7,10,22,11,9,8,14/E:(2,3)(6,7)/rA:22nCCCCCCCONCNCCSCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;s10s13;s13;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13FN2OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.00836
Area:506.572
Solvation:-3.65596
Coulombic:-32.326
Bond Count [?]
All:24
Single:15
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:312.362
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.11
LogP (Chemaxon):4.18

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Descriptor Annotations

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