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Chemical ID: 7074169
Chemical ID:
7074169
Name [?]:
N,N-diethyl-3-[2-(p-tolylmethyleneaminoamino)thiazol-4-yl]-benzenesulfonamide
SMILES [?]:
CCN(CC)S(=O)(=O)c1cccc(c1)c2csc(n2)NN=Cc3ccc(cc3)C
InChi [?]:
InChI=1/C21H24N4O2S2/c1-4-25(5-2)29(26,27)19-8-6-7-18(13-19)20-15-28-21(23-20)24-22-14-17-11-9-16(3)10-12-17/h6-15H,4-5H2,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,5,29,2,4,11,12,10,25,27,24,28,14,22,16,26,23,13,9,15,18,21,19,20,3,7,8,17,6/E:(1,2)(4,5)(9,10)(11,12)(26,27)/CRV:29.6/rA:29nCCNCCSOOCCCCCCCCSCNNNCCCCCCCC/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;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24N4O2S2 |
All Atoms: | 53 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2682 |
Area: | 668.909 |
Solvation: | -3.45453 |
Coulombic: | -25.1838 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 428.573 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.55 |
LogP (Chemaxon): | 5.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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