Chemical ID: 7727341

Cn1c(=O)c2c(nc1SCC(=O)Nc3ccc(cc3)Br)CCS2
Chemical ID:
7727341
Name [?]:
None
SMILES [?]:
Cn1c(=O)c2c(nc1SCC(=O)Nc3ccc(cc3)Br)CCS2
InChi [?]:
InChI=1/C15H14BrN3O2S2/c1-19-14(21)13-11(6-7-22-13)18-15(19)23-8-12(20)17-10-4-2-9(16)3-5-10/h2-5H,6-8H2,1H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,16,18,15,19,21,22,10,17,14,6,11,5,3,8,20,13,7,2,12,4,23,9/E:(2,3)(4,5)/rA:23nCNCOCCNCSCCONCCCCCCBrCCS/rB:s1;s2;d3;s3;d5;s6;s2d7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s6;s21;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14BrN3O2S2
All Atoms:37
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:10.436
Area:551.522
Solvation:-3.35204
Coulombic:-42.9219
Bond Count [?]
All:25
Single:18
Double:7
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.96
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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