Chemical ID: 7727342

Cn1c(=O)c2c(nc1SCC(=O)Nc3ccc(cc3F)F)CCS2
Chemical ID:
7727342
Name [?]:
None
SMILES [?]:
Cn1c(=O)c2c(nc1SCC(=O)Nc3ccc(cc3F)F)CCS2
InChi [?]:
InChI=1/C15H13F2N3O2S2/c1-20-14(22)13-11(4-5-23-13)19-15(20)24-7-12(21)18-10-3-2-8(16)6-9(10)17/h2-3,6H,4-5,7H2,1H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,16,15,22,23,18,10,17,19,14,6,11,5,3,8,21,20,13,7,2,12,4,24,9/rA:24nCNCOCCNCSCCONCCCCCCFFCCS/rB:s1;s2;d3;s3;d5;s6;s2d7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;s6;s22;s5s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13F2N3O2S2
All Atoms:37
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:8.76547
Area:533.756
Solvation:-4.57842
Coulombic:-49.554
Bond Count [?]
All:26
Single:19
Double:7
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.48
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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