Chemical ID: 7727320

Cn1c(=O)c2c(nc1SCC(=O)N3CCCCC3)CCS2
Chemical ID:
7727320
Name [?]:
None
SMILES [?]:
Cn1c(=O)c2c(nc1SCC(=O)N3CCCCC3)CCS2
InChi [?]:
InChI=1/C14H19N3O2S2/c1-16-13(19)12-10(5-8-20-12)15-14(16)21-9-11(18)17-6-3-2-4-7-17/h2-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,19,14,18,20,10,6,11,5,3,8,7,2,13,12,4,21,9/E:(3,4)(6,7)/rA:21nCNCOCCNCSCCONCCCCCCCS/rB:s1;s2;d3;s3;d5;s6;s2d7;s8;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s6;s19;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19N3O2S2
All Atoms:40
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:9.47589
Area:504.946
Solvation:-3.14775
Coulombic:-38.2799
Bond Count [?]
All:23
Single:19
Double:4
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.6
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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