Chemical ID: 5940256

Cc1ccccc1C(=O)Nc2cccc(c2)c3csc(n3)Nc4cccc(c4)F
Chemical ID:
5940256
Name [?]:
N-[3-[2-(3-fluorophenyl)aminothiazol-4-yl]phenyl]-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2cccc(c2)c3csc(n3)Nc4cccc(c4)F
InChi [?]:
InChI=1/C23H18FN3OS/c1-15-6-2-3-11-20(15)22(28)25-18-9-4-7-16(12-18)21-14-29-23(27-21)26-19-10-5-8-17(24)13-19/h2-14H,1H3,(H,25,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,4,5,13,25,3,14,26,12,24,6,16,28,18,2,15,27,11,23,7,17,8,20,29,10,22,21,9,19/rA:29nCCCCCCCCONCCCCCCCCSCNNCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s18;s19;s17d20;s20;s22;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18FN3OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.8981
Area:615.422
Solvation:-3.48748
Coulombic:-44.9626
Bond Count [?]
All:32
Single:20
Double:12
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:403.473
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.64
LogP (Chemaxon):6.3

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