Chemical ID: 5175606

COc1ccc(cc1)C(=O)CSc2[nH]c(=O)c3c4c(sc3n2)CCCC4
Chemical ID:
5175606
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)C(=O)CSc2[nH]c(=O)c3c4c(sc3n2)CCCC4
InChi [?]:
InChI=1/C19H18N2O3S2/c1-24-12-8-6-11(7-9-12)14(22)10-25-19-20-17(23)16-13-4-2-3-5-15(13)26-18(16)21-19/h6-9H,2-5,10H2,1H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,23,5,7,4,8,11,6,3,18,9,19,17,15,21,13,14,22,10,16,2,12,20/E:(6,7)(8,9)/rA:26nCOCCCCCCCOCSCNCOCCCSCNCCCC/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:C19H18N2O3S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.6121
Area:586.149
Solvation:-4.04161
Coulombic:-42.8899
Bond Count [?]
All:29
Single:21
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:386.49
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.15
LogP (Chemaxon):3.6

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