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Chemical ID: 6003497
Chemical ID:
6003497
Name [?]:
2-(cyclohexyl-(cyclohexylcarbamoyl)amino)-N-(4,5-dimethylthiazol-2-yl)-acetamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)CN(C2CCCCC2)C(=O)NC3CCCCC3)C
InChi [?]:
InChI=1/C20H32N4O2S/c1-14-15(2)27-19(21-14)23-18(25)13-24(17-11-7-4-8-12-17)20(26)22-16-9-5-3-6-10-16/h16-17H,3-13H2,1-2H3,(H,22,26)(H,21,23,25)
InChi Info:
AuxInfo=1/1/N:1,27,24,15,23,25,14,16,22,26,13,17,10,2,3,21,12,8,5,18,6,20,7,11,9,19,4/E:(5,6)(7,8)(9,10)(11,12)/rA:27nCCCSCNNCOCNCCCCCCCONCCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s12s16;s11;d18;s18;s20;s21;s22;s23;s24;s21s25;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H32N4O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7421 |
Area: | 621.586 |
Solvation: | -3.7975 |
Coulombic: | -55.9049 |
Bond Count [?]
All: | 29 |
Single: | 25 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 392.56 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.86 |
LogP (Chemaxon): | 3.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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