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Chemical ID: 7074208
Chemical ID:
7074208
Name [?]:
N,N-diethyl-3-[2-[(3-hydroxyphenyl)methyleneaminoamino]thiazol-4-yl]-benzenesulfonamide
SMILES [?]:
CCN(CC)S(=O)(=O)c1cccc(c1)c2csc(n2)NN=Cc3cccc(c3)O
InChi [?]:
InChI=1/C20H22N4O3S2/c1-3-24(4-2)29(26,27)18-10-6-8-16(12-18)19-14-28-20(22-19)23-21-13-15-7-5-9-17(25)11-15/h5-14,25H,3-4H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,25,11,24,12,26,10,28,14,22,16,23,13,27,9,15,18,21,19,20,3,29,7,8,17,6/E:(1,2)(3,4)(26,27)/CRV:29.6/rA:29nCCNCCSOOCCCCCCCCSCNNNCCCCCCCO/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s13;d15;s16;s17;s15d18;s18;s20;w21;s22;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22N4O3S2 |
All Atoms: | 51 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3057 |
Area: | 665.31 |
Solvation: | -4.32701 |
Coulombic: | -40.3764 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 430.546 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.7 |
LogP (Chemaxon): | 4.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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