Chemical ID: 7027184

c1ccc(cc1)Oc2cccc(c2)C=NNc3nc(cs3)c4ccc(cc4)F
Chemical ID:
7027184
Name [?]:
4-(4-fluorophenyl)-N-[(3-phenoxyphenyl)methyleneamino]thiazol-2-amine
SMILES [?]:
c1ccc(cc1)Oc2cccc(c2)C=NNc3nc(cs3)c4ccc(cc4)F
InChi [?]:
InChI=1/C22H16FN3OS/c23-18-11-9-17(10-12-18)21-15-28-22(25-21)26-24-14-16-5-4-8-20(13-16)27-19-6-2-1-3-7-19/h1-15H,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,10,11,3,5,9,23,27,24,26,13,14,20,12,22,25,4,8,19,17,28,15,18,16,7,21/E:(2,3)(6,7)(9,10)(11,12)/rA:28nCCCCCCOCCCCCCCNNCNCCSCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s12;w14;s15;s16;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16FN3OS
All Atoms:44
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.5023
Area:621.474
Solvation:-4.03452
Coulombic:-30.307
Bond Count [?]
All:31
Single:19
Double:12
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:389.446
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.82
LogP (Chemaxon):6.72

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