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Chemical ID: 7261879
Chemical ID:
7261879
Name [?]:
N-[(4-fluorophenyl)methyl]-2-phenylsulfanyl-pyridine-3-carboxamide
SMILES [?]:
c1ccc(cc1)Sc2c(cccn2)C(=O)NCc3ccc(cc3)F
InChi [?]:
InChI=1/C19H15FN2OS/c20-15-10-8-14(9-11-15)13-22-18(23)17-7-4-12-21-19(17)24-16-5-2-1-3-6-16/h1-12H,13H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,3,5,10,19,23,20,22,12,17,18,21,4,9,14,8,24,13,16,15,7/E:(2,3)(5,6)(8,9)(10,11)/rA:24nCCCCCCSCCCCCNCONCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s9;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15FN2OS |
All Atoms: | 39 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.94156 |
Area: | 541.381 |
Solvation: | -3.59295 |
Coulombic: | -33.4732 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 338.4 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.33 |
LogP (Chemaxon): | 4.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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