ChemDB: Chemical Search
Download
Chemical ID: 7074158
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|