Chemical ID: 7074208

CCN(CC)S(=O)(=O)c1cccc(c1)c2csc(n2)NN=Cc3cccc(c3)O
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue