Chemical ID: 5940205

c1ccc(cc1)C(=O)Nc2ccc(cc2)c3csc(n3)Nc4cccc(c4)F
Chemical ID:
5940205
Name [?]:
N-[4-[2-(3-fluorophenyl)aminothiazol-4-yl]phenyl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2ccc(cc2)c3csc(n3)Nc4cccc(c4)F
InChi [?]:
InChI=1/C22H16FN3OS/c23-17-7-4-8-19(13-17)25-22-26-20(14-28-22)15-9-11-18(12-10-15)24-21(27)16-5-2-1-3-6-16/h1-14H,(H,24,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,24,3,5,25,23,12,14,11,15,27,17,13,4,26,10,22,16,7,19,28,9,21,20,8,18/E:(2,3)(5,6)(9,10)(11,12)/rA:28nCCCCCCCONCCCCCCCCSCNNCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;d16;s17;s18;s16d19;s19;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16FN3OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.6296
Area:604.602
Solvation:-3.48544
Coulombic:-45.1255
Bond Count [?]
All:31
Single:19
Double:12
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:389.446
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.2
LogP (Chemaxon):5.84

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