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Chemical ID: 7346459
Chemical ID:
7346459
Name [?]:
4-(4-fluorophenyl)-3-(2-methoxy-1-methyl-ethyl)-N-(4-methoxyphenyl)-thiazol-2-imine
SMILES [?]:
CC(COC)n1c(csc1=Nc2ccc(cc2)OC)c3ccc(cc3)F
InChi [?]:
InChI=1/C20H21FN2O2S/c1-14(12-24-2)23-19(15-4-6-16(21)7-5-15)13-26-20(23)22-17-8-10-18(25-3)11-9-17/h4-11,13-14H,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,19,21,25,22,24,13,17,14,16,3,8,2,20,23,12,15,7,10,26,11,6,4,18,9/E:(4,5)(6,7)(8,9)(10,11)/rA:26cCCCOCNCCSCNCCCCCCOCCCCCCCF/rB:s1;s2;s3;s4;s2;s6;d7;s8;s6s9;w10;s11;s12;d13;s14;d15;d12s16;s15;s18;s7;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21FN2O2S |
All Atoms: | 47 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.6549 |
Area: | 518.332 |
Solvation: | -5.3034 |
Coulombic: | -32.5991 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 372.457 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.1 |
LogP (Chemaxon): | 5.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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