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Chemical ID: 7027249
Chemical ID:
7027249
Name [?]:
4-[2-[(4-ethylphenyl)methyleneaminoamino]thiazol-4-yl]-N,N-dimethyl-benzenesulfonamide
SMILES [?]:
CCc1ccc(cc1)C=NNc2nc(cs2)c3ccc(cc3)S(=O)(=O)N(C)C
InChi [?]:
InChI=1/C20H22N4O2S2/c1-4-15-5-7-16(8-6-15)13-21-23-20-22-19(14-27-20)17-9-11-18(12-10-17)28(25,26)24(2)3/h5-14H,4H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,27,28,2,4,8,5,7,18,22,19,21,9,15,3,6,17,20,14,12,10,13,11,26,24,25,16,23/E:(2,3)(5,6)(7,8)(9,10)(11,12)(25,26)/CRV:28.6/rA:28nCCCCCCCCCNNCNCCSCCCCCCSOONCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;d23;d23;s23;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22N4O2S2 |
All Atoms: | 50 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.8617 |
Area: | 649.167 |
Solvation: | -3.36745 |
Coulombic: | -25.1067 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 414.546 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.17 |
LogP (Chemaxon): | 5.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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