Chemical ID: 5432782

COc1ccccc1C(=O)Nc2ncc(s2)Cc3ccccc3F
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue