Chemical ID: 4872500

Cc1cc(c(c(c1)C)NC(=O)CSc2nnc(n2N)C3CCCCC3)C
Chemical ID:
4872500
Name [?]:
2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)-acetamide
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=O)CSc2nnc(n2N)C3CCCCC3)C
InChi [?]:
InChI=1/C19H27N5OS/c1-12-9-13(2)17(14(3)10-12)21-16(25)11-26-19-23-22-18(24(19)20)15-7-5-4-6-8-15/h9-10,15H,4-8,11,20H2,1-3H3,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,8,26,23,22,24,21,25,7,3,12,2,6,4,20,10,5,17,14,19,9,16,15,18,11,13/E:(2,3)(5,6)(7,8)(9,10)(13,14)/rA:26nCCCCCCCCNCOCSCNNCNNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s15;d16;s14s17;s18;s17;s20;s21;s22;s23;s20s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H27N5OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.0951
Area:602.627
Solvation:-2.97059
Coulombic:-42.7924
Bond Count [?]
All:28
Single:22
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:373.517
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:3.68
LogP (Chemaxon):2.47

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Descriptor Annotations

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