Chemical ID: 4518330

c1ccc(cc1)C=Nc2ccc(cc2)SSc3ccc(cc3)N=Cc4ccccc4
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

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Descriptor Annotations

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