Chemical ID: 7074169

CCN(CC)S(=O)(=O)c1cccc(c1)c2csc(n2)NN=Cc3ccc(cc3)C
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

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Descriptor Annotations

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