Chemical ID: 7261879

c1ccc(cc1)Sc2c(cccn2)C(=O)NCc3ccc(cc3)F
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

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Descriptor Annotations

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