Chemical ID: 4336992

c1ccc(cc1)C(=O)Nc2ccc(cc2)c3csc(n3)Nc4ccccc4F
Chemical ID:
4336992
Name [?]:
N-[4-[2-(2-fluorophenyl)aminothiazol-4-yl]phenyl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2ccc(cc2)c3csc(n3)Nc4ccccc4F
InChi [?]:
InChI=1/C22H16FN3OS/c23-18-8-4-5-9-19(18)25-22-26-20(14-28-22)15-10-12-17(13-11-15)24-21(27)16-6-2-1-3-7-16/h1-14H,(H,24,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,25,24,3,5,26,23,12,14,11,15,17,13,4,10,27,22,16,7,19,28,9,21,20,8,18/E:(2,3)(6,7)(10,11)(12,13)/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;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16FN3OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.6343
Area:602.576
Solvation:-3.43011
Coulombic:-46.0507
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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Descriptor Annotations

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