Chemical ID: 7454028

Cc1n[nH]c(=NC(=O)CCC(=O)NC2CCCCC2)s1
Chemical ID:
7454028
Name [?]:
N'-cyclohexyl-N-(5-methyl-3H-1,3,4-thiadiazol-2-ylidene)-butanediamide
SMILES [?]:
Cc1n[nH]c(=NC(=O)CCC(=O)NC2CCCCC2)s1
InChi [?]:
InChI=1/C13H20N4O2S/c1-9-16-17-13(20-9)15-12(19)8-7-11(18)14-10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H,14,18)(H,15,17,19)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,19,10,9,2,14,11,7,5,13,6,3,4,12,8,20/E:(3,4)(5,6)/rA:20nCCNNCNCOCCCONCCCCCCS/rB:s1;d2;s3;s4;w5;s6;d7;s7;s9;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20N4O2S
All Atoms:40
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.291
Area:510.217
Solvation:-2.46441
Coulombic:-45.4189
Bond Count [?]
All:21
Single:17
Double:4
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:296.39
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.62
LogP (Chemaxon):1.23

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