Chemical ID: 7727411

CCn1c(=O)c2c(nc1SCC(=O)Nc3ccc(c(c3)Cl)C)CCS2
Chemical ID:
7727411
Name [?]:
None
SMILES [?]:
CCn1c(=O)c2c(nc1SCC(=O)Nc3ccc(c(c3)Cl)C)CCS2
InChi [?]:
InChI=1/C17H18ClN3O2S2/c1-3-21-16(23)15-13(6-7-24-15)20-17(21)25-9-14(22)19-11-5-4-10(2)12(18)8-11/h4-5,8H,3,6-7,9H2,1-2H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,22,2,17,16,23,24,20,11,18,15,19,7,12,6,4,9,21,14,8,3,13,5,25,10/rA:25nCCNCOCCNCSCCONCCCCCCClCCCS/rB:s1;s2;s3;d4;s4;d6;s7;s3d8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s18;s7;s23;s6s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18ClN3O2S2
All Atoms:43
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:11.5688
Area:595.488
Solvation:-3.31843
Coulombic:-43.4581
Bond Count [?]
All:27
Single:20
Double:7
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.43
LogP (Chemaxon):None

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