Chemical ID: 7027242

CCc1ccc(cc1)C=NNc2nc(cs2)c3ccc(cc3)F
Chemical ID:
7027242
Name [?]:
N-[(4-ethylphenyl)methyleneamino]-4-(4-fluorophenyl)-thiazol-2-amine
SMILES [?]:
CCc1ccc(cc1)C=NNc2nc(cs2)c3ccc(cc3)F
InChi [?]:
InChI=1/C18H16FN3S/c1-2-13-3-5-14(6-4-13)11-20-22-18-21-17(12-23-18)15-7-9-16(19)10-8-15/h3-12H,2H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,5,7,18,22,19,21,9,15,3,6,17,20,14,12,23,10,13,11,16/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCCCCCCCCCNNCNCCSCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16FN3S
All Atoms:39
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.6805
Area:551.262
Solvation:-3.10102
Coulombic:-22.2378
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:325.404
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.24
LogP (Chemaxon):6.15

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Descriptor Annotations

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