Chemical ID: 7727400

CCn1c(=O)c2c(nc1SCC(=O)Nc3ccc(cc3)C)CCS2
Chemical ID:
7727400
Name [?]:
None
SMILES [?]:
CCn1c(=O)c2c(nc1SCC(=O)Nc3ccc(cc3)C)CCS2
InChi [?]:
InChI=1/C17H19N3O2S2/c1-3-20-16(22)15-13(8-9-23-15)19-17(20)24-10-14(21)18-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,21,2,17,19,16,20,22,23,11,18,15,7,12,6,4,9,14,8,3,13,5,24,10/E:(4,5)(6,7)/rA:24nCCNCOCCNCSCCONCCCCCCCCCS/rB:s1;s2;s3;d4;s4;d6;s7;s3d8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s7;s22;s6s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19N3O2S2
All Atoms:43
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:10.779
Area:566.373
Solvation:-3.38028
Coulombic:-43.2183
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:2.02
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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