Chemical ID: 5983647

CCCCCC(=O)NC(C(C)CC)C(=O)Nc1nnc(s1)c2ccc(cc2)Cl
Chemical ID:
5983647
Name [?]:
N-[1-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-butyl]hexanamide
SMILES [?]:
CCCCCC(=O)NC(C(C)CC)C(=O)Nc1nnc(s1)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C20H27ClN4O2S/c1-4-6-7-8-16(26)22-17(13(3)5-2)18(27)23-20-25-24-19(28-20)14-9-11-15(21)12-10-14/h9-13,17H,4-8H2,1-3H3,(H,22,26)(H,23,25,27)
InChi Info:
AuxInfo=1/1/N:1,13,11,2,12,3,4,5,23,27,24,26,10,22,25,6,9,14,20,17,28,8,16,19,18,7,15,21/E:(9,10)(11,12)/rA:28cCCCCCCONCCCCCCONCNNCSCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s10;s12;s9;d14;s14;s16;d17;s18;d19;s17s20;s20;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27ClN4O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:13.4246
Area:674.634
Solvation:-3.44122
Coulombic:-48.7168
Bond Count [?]
All:29
Single:22
Double:7
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:422.973
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.97
LogP (Chemaxon):4.65

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Descriptor Annotations

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