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Chemical ID: 7027242
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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