Chemical ID: 6119308

CCOc1ccc(cc1)c2csc(n2)NN=Cc3ccc(cc3)F
Chemical ID:
6119308
Name [?]:
4-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyleneamino]thiazol-2-amine
SMILES [?]:
CCOc1ccc(cc1)c2csc(n2)NN=Cc3ccc(cc3)F
InChi [?]:
InChI=1/C18H16FN3OS/c1-2-23-16-9-5-14(6-10-16)17-12-24-18(21-17)22-20-11-13-3-7-15(19)8-4-13/h3-12H,2H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,19,23,6,8,20,22,5,9,17,11,18,7,21,4,10,13,24,16,14,15,3,12/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCOCCCCCCCCSCNNNCCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16FN3OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.74602
Area:556.343
Solvation:-4.16256
Coulombic:-28.6553
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:341.404
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.68
LogP (Chemaxon):5.38

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