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Chemical ID: 5432782
Chemical ID:
5432782
Name [?]:
N-[5-[(2-fluorophenyl)methyl]thiazol-2-yl]-2-methoxy-benzamide
SMILES [?]:
COc1ccccc1C(=O)Nc2ncc(s2)Cc3ccccc3F
InChi [?]:
InChI=1/C18H15FN2O2S/c1-23-16-9-5-3-7-14(16)17(22)21-18-20-11-13(24-18)10-12-6-2-4-8-15(12)19/h2-9,11H,10H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,20,6,21,5,19,7,22,4,17,14,18,15,8,23,3,9,12,24,13,11,10,2,16/rA:24nCOCCCCCCCONCNCCSCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15FN2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.57602 |
Area: | 536.097 |
Solvation: | -5.82639 |
Coulombic: | -37.3705 |
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: | 3.02 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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