Chemical ID: 5649838

CCc1ccc(cc1)C(=O)CSc2[nH]c(=O)c3c4c(sc3n2)CCCC4
Chemical ID:
5649838
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)C(=O)CSc2[nH]c(=O)c3c4c(sc3n2)CCCC4
InChi [?]:
InChI=1/C20H20N2O2S2/c1-2-12-7-9-13(10-8-12)15(23)11-25-20-21-18(24)17-14-5-3-4-6-16(14)26-19(17)22-20/h7-10H,2-6,11H2,1H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,25,24,26,23,4,8,5,7,11,3,6,18,9,19,17,15,21,13,14,22,10,16,12,20/E:(7,8)(9,10)/rA:26nCCCCCCCCCOCSCNCOCCCSCNCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;d15;s15;s17;d18;s19;d17s20;d13s21;s19;s23;s24;s18s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O2S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.1334
Area:593.051
Solvation:-2.69288
Coulombic:-36.9465
Bond Count [?]
All:29
Single:21
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:384.517
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.13
LogP (Chemaxon):4.71

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