Chemical ID: 7074158

CCN(CC)S(=O)(=O)c1cccc(c1)c2csc(n2)NN=CC=Cc3ccccc3
Chemical ID:
7074158
Name [?]:
3-(2-cinnamylideneaminoaminothiazol-4-yl)-N,N-diethyl-benzenesulfonamide
SMILES [?]:
CCN(CC)S(=O)(=O)c1cccc(c1)c2csc(n2)NN=CC=Cc3ccccc3
InChi [?]:
InChI=1/C22H24N4O2S2/c1-3-26(4-2)30(27,28)20-14-8-13-19(16-20)21-17-29-22(24-21)25-23-15-9-12-18-10-6-5-7-11-18/h5-17H,3-4H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,28,27,29,11,23,26,30,24,12,10,22,14,16,25,13,9,15,18,21,19,20,3,7,8,17,6/E:(1,2)(3,4)(6,7)(10,11)(27,28)/CRV:30.6/rA:30nCCNCCSOOCCCCCCCCSCNNNCCCCCCCCC/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s13;d15;s16;s17;s15d18;s18;s20;w21;s22;w23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N4O2S2
All Atoms:54
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.7969
Area:697.106
Solvation:-3.63075
Coulombic:-26.0551
Bond Count [?]
All:32
Single:20
Double:12
Rotors:9
Chiral:2
Rigid Segments:8
Chemical Properties
Molecular Weight:440.584
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.38
LogP (Chemaxon):4.98

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Descriptor Annotations

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