Chemical ID: 7727404

CCn1c(=O)c2c(nc1SCC(=O)Nc3cccc(c3)F)CCS2
Chemical ID:
7727404
Name [?]:
None
SMILES [?]:
CCn1c(=O)c2c(nc1SCC(=O)Nc3cccc(c3)F)CCS2
InChi [?]:
InChI=1/C16H16FN3O2S2/c1-2-20-15(22)14-12(6-7-23-14)19-16(20)24-9-13(21)18-11-5-3-4-10(17)8-11/h3-5,8H,2,6-7,9H2,1H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,2,17,18,16,22,23,20,11,19,15,7,12,6,4,9,21,14,8,3,13,5,24,10/rA:24nCCNCOCCNCSCCONCCCCCCFCCS/rB:s1;s2;s3;d4;s4;d6;s7;s3d8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s7;s22;s6s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16FN3O2S2
All Atoms:40
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:9.50235
Area:547.809
Solvation:-4.19287
Coulombic:-46.408
Bond Count [?]
All:26
Single:19
Double:7
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.75
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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