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Chemical ID: 4518330
Chemical ID:
4518330
Name [?]:
N-[4-(4-benzylideneaminophenyl)disulfanylphenyl]-1-phenyl-methanimine
SMILES [?]:
c1ccc(cc1)C=Nc2ccc(cc2)SSc3ccc(cc3)N=Cc4ccccc4
InChi [?]:
InChI=1/C26H20N2S2/c1-3-7-21(8-4-1)19-27-23-11-15-25(16-12-23)29-30-26-17-13-24(14-18-26)28-20-22-9-5-2-6-10-22/h1-20H
InChi Info:
AuxInfo=1/0/N:1,28,2,6,27,29,3,5,26,30,10,14,19,21,11,13,18,22,7,24,4,25,9,20,12,17,8,23,15,16/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)/rA:30nCCCCCCCNCCCCCCSSCCCCCCNCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;s17;d18;s19;d20;d17s21;s20;w23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H20N2S2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.5528 |
Area: | 635.078 |
Solvation: | -2.32417 |
Coulombic: | -16.2664 |
Bond Count [?]
All: | 33 |
Single: | 19 |
Double: | 14 |
Rotors: | 7 |
Chiral: | 2 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 424.582 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 7.18 |
LogP (Chemaxon): | 8.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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