Chemical ID: 6004532

Cc1ccc(cc1)c2nnc(s2)NC(=O)CNC(=O)CC(C)CC(C)(C)C
Chemical ID:
6004532
Name [?]:
3,5,5-trimethyl-N-[[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]carbamoylmethyl]hexanamide
SMILES [?]:
Cc1ccc(cc1)c2nnc(s2)NC(=O)CNC(=O)CC(C)CC(C)(C)C
InChi [?]:
InChI=1/C20H28N4O2S/c1-13-6-8-15(9-7-13)18-23-24-19(27-18)22-17(26)12-21-16(25)10-14(2)11-20(3,4)5/h6-9,14H,10-12H2,1-5H3,(H,21,25)(H,22,24,26)
InChi Info:
AuxInfo=1/1/N:1,22,25,26,27,3,7,4,6,20,23,16,2,21,5,18,14,8,11,24,17,13,9,10,19,15,12/E:(3,4,5)(6,7)(8,9)/rA:27cCCCCCCCCNNCSNCOCNCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s17;d18;s18;s20;s21;s21;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H28N4O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.6258
Area:647.891
Solvation:-3.57146
Coulombic:-47.4512
Bond Count [?]
All:28
Single:21
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:388.528
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.65
LogP (Chemaxon):3.89

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue