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Chemical ID: 5656152
Chemical ID:
5656152
Name [?]:
None
SMILES [?]:
CN1CCc2c(sc3c2c(=O)n(c(n3)S)Cc4ccccc4)C1
InChi [?]:
InChI=1/C17H17N3OS2/c1-19-8-7-12-13(10-19)23-15-14(12)16(21)20(17(22)18-15)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,4,3,16,23,17,5,6,9,8,10,13,14,2,12,11,15,7/E:(3,4)(5,6)/rA:23cCNCCCCSCCCONCNSCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s9;d10;s10;s12;s8d13;s13;s12;s16;s17;d18;s19;d20;d17s21;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17N3OS2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5764 |
Area: | 502.536 |
Solvation: | -1.98699 |
Coulombic: | -31.2487 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 343.469 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.43 |
LogP (Chemaxon): | 3.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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