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Chemical ID: 5449054
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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