Chemical ID: 5175602

c1cc(sc1)C(=O)CSc2[nH]c(=O)c3c4c(sc3n2)CCCC4
Chemical ID:
5175602
Name [?]:
None
SMILES [?]:
c1cc(sc1)C(=O)CSc2[nH]c(=O)c3c4c(sc3n2)CCCC4
InChi [?]:
InChI=1/C16H14N2O2S3/c19-10(12-6-3-7-21-12)8-22-16-17-14(20)13-9-4-1-2-5-11(9)23-15(13)18-16/h3,6-7H,1-2,4-5,8H2,(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:22,21,1,23,20,2,5,8,15,6,16,3,14,12,18,10,11,19,7,13,4,9,17/rA:23nCCCSCCOCSCNCOCCCSCNCCCC/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;s10;s11;d12;s12;s14;d15;s16;d14s17;d10s18;s16;s20;s21;s15s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N2O2S3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.1507
Area:544.658
Solvation:-2.46579
Coulombic:-36.5067
Bond Count [?]
All:26
Single:19
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:362.493
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.26
LogP (Chemaxon):3.26

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