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Chemical ID: 6544359
Chemical ID:
6544359
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C(=O)CSc2[nH]c(=O)c3c4c(sc3n2)CCCC4
InChi [?]:
InChI=1/C18H16N2O2S2/c21-13(11-6-2-1-3-7-11)10-23-18-19-16(22)15-12-8-4-5-9-14(12)24-17(15)20-18/h1-3,6-7H,4-5,8-10H2,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,23,22,3,5,24,21,9,4,16,7,17,15,13,19,11,12,20,8,14,10,18/E:(2,3)(6,7)/rA:24nCCCCCCCOCSCNCOCCCSCNCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;d13;s13;s15;d16;s17;d15s18;d11s19;s17;s21;s22;s16s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O2S2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0588 |
Area: | 550.507 |
Solvation: | -2.70392 |
Coulombic: | -36.8392 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 356.464 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.23 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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