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Chemical ID: 6636625
Chemical ID:
6636625
Name [?]:
N-[(4-fluorophenyl)methyleneamino]-4-(p-tolyl)-3H-thiazol-2-imine
SMILES [?]:
Cc1ccc(cc1)c2csc(=NN=Cc3ccc(cc3)F)[nH]2
InChi [?]:
InChI=1/C17H14FN3S/c1-12-2-6-14(7-3-12)16-11-22-17(20-16)21-19-10-13-4-8-15(18)9-5-13/h2-11H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,7,16,20,4,6,17,19,14,9,2,15,5,18,8,11,21,13,22,12,10/E:(2,3)(4,5)(6,7)(8,9)/rA:22nCCCCCCCCCSCNNCCCCCCCFN/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;w11;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s8s11;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14FN3S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1202 |
Area: | 510.765 |
Solvation: | -2.64896 |
Coulombic: | -22.0337 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 311.378 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.41 |
LogP (Chemaxon): | 4.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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