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Chemical ID: 6637258
Chemical ID:
6637258
Name [?]:
N-(4-ethylphenyl)-2-[6-[(4-ethylphenyl)carbamoylmethylsulfanyl]hexylsulfanyl]acetamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)CSCCCCCCSCC(=O)Nc2ccc(cc2)CC
InChi [?]:
InChI=1/C26H36N2O2S2/c1-3-21-9-13-23(14-10-21)27-25(29)19-31-17-7-5-6-8-18-32-20-26(30)28-24-15-11-22(4-2)12-16-24/h9-16H,3-8,17-20H2,1-2H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,32,2,31,16,17,15,18,4,8,27,29,5,7,26,30,14,19,12,21,3,28,6,25,10,22,9,24,11,23,13,20/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)/gE:(1,2)/rA:32nCCCCCCCCNCOCSCCCCCCSCCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;s28;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H36N2O2S2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 15.408 |
Area: | 816.881 |
Solvation: | -5.01406 |
Coulombic: | -43.545 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 17 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 472.708 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 6.46 |
LogP (Chemaxon): | 6.35 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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