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Chemical ID: 7727400
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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