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Chemical ID: 3893845
Chemical ID:
3893845
Name [?]:
N-cyclohexyl-2-(p-tolyl)-2-[[2-(2-thienyl)acetyl]-(2-thienylmethyl)amino]-acetamide
SMILES [?]:
Cc1ccc(cc1)C(C(=O)NC2CCCCC2)N(Cc3cccs3)C(=O)Cc4cccs4
InChi [?]:
InChI=1/C26H30N2O2S2/c1-19-11-13-20(14-12-19)25(26(30)27-21-7-3-2-4-8-21)28(18-23-10-6-16-32-23)24(29)17-22-9-5-15-31-22/h5-6,9-16,21,25H,2-4,7-8,17-18H2,1H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,30,22,13,17,29,21,3,7,4,6,31,23,27,19,2,5,12,28,20,25,8,9,11,18,26,10,32,24/E:(3,4)(7,8)(11,12)(13,14)/rA:32cCCCCCCCCCONCCCCCCNCCCCCSCOCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s8;s18;s19;d20;s21;d22;s20s23;s18;d25;s25;s27;d28;s29;d30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H30N2O2S2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.2234 |
Area: | 681.695 |
Solvation: | -3.81897 |
Coulombic: | -41.1216 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 466.661 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.23 |
LogP (Chemaxon): | 4.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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