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Chemical ID: 7727332
Chemical ID:
7727332
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)NC(=O)CSc2nc3c(c(=O)n2C)SCC3)C
InChi [?]:
InChI=1/C17H19N3O2S2/c1-10-4-5-11(2)13(8-10)18-14(21)9-24-17-19-12-6-7-23-15(12)16(22)20(17)3/h4-5,8H,6-7,9H2,1-3H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,24,20,3,4,23,22,7,11,2,5,15,6,9,16,17,13,8,14,19,10,18,21,12/rA:24nCCCCCCCNCOCSCNCCCONCSCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s14;d15;s16;d17;s13s17;s19;s16;s21;s15s22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19N3O2S2 |
All Atoms: | 43 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.662 |
Area: | 561.088 |
Solvation: | -3.36515 |
Coulombic: | -42.9524 |
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: | 1.83 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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