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Chemical ID: 6192790
Chemical ID:
6192790
Name [?]:
4-ethyl-N-[4-(4-ethylphenyl)sulfonylimino-1-naphthylidene]-benzenesulfonamide
SMILES [?]:
CCc1ccc(cc1)S(=O)(=O)N=C2C=CC(=NS(=O)(=O)c3ccc(cc3)CC)c4c2cccc4
InChi [?]:
InChI=1/C26H24N2O4S2/c1-3-19-9-13-21(14-10-19)33(29,30)27-25-17-18-26(24-8-6-5-7-23(24)25)28-34(31,32)22-15-11-20(4-2)12-16-22/h5-18H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,27,32,33,31,34,4,8,23,25,5,7,22,26,14,15,3,24,6,21,30,29,13,16,12,17,10,11,19,20,9,18/E:(1,2)(3,4)(5,6)(7,8)(9,10,11,12)(13,14,15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30,31,32)(33,34)/CRV:33.6,34.6/rA:34nCCCCCCCCSOONCCCCNSOOCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;w12;s13;d14;s15;w16;s17;d18;d18;s18;s21;d22;s23;d24;d21s25;s24;s27;s16;s13s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24N2O4S2 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 16.1005 |
Area: | 727.337 |
Solvation: | -2.08288 |
Coulombic: | -18.4367 |
Bond Count [?]
All: | 37 |
Single: | 21 |
Double: | 16 |
Rotors: | 6 |
Chiral: | 2 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 492.612 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 6.08 |
LogP (Chemaxon): | 6.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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