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Chemical ID: 7026996
Chemical ID:
7026996
Name [?]:
4-[3-(2-methoxyethyl)-2-phenylimino-thiazol-4-yl]-N,N-dimethyl-benzenesulfonamide
SMILES [?]:
CN(C)S(=O)(=O)c1ccc(cc1)c2csc(=Nc3ccccc3)n2CCOC
InChi [?]:
InChI=1/C20H23N3O3S2/c1-22(2)28(24,25)18-11-9-16(10-12-18)19-15-27-20(23(19)13-14-26-3)21-17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,28,21,20,22,19,23,9,11,8,12,25,26,14,10,18,7,13,16,17,2,24,5,6,27,15,4/E:(1,2)(5,6)(7,8)(9,10)(11,12)(24,25)/CRV:28.6/rA:28nCNCSOOCCCCCCCCSCNCCCCCCNCCOC/rB:s1;s2;s2;d4;d4;s4;s7;d8;s9;d10;d7s11;s10;d13;s14;s15;w16;s17;s18;d19;s20;d21;d18s22;s13s16;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23N3O3S2 |
All Atoms: | 51 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6518 |
Area: | 590.069 |
Solvation: | -4.0999 |
Coulombic: | -29.6685 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 417.547 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.65 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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