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Chemical ID: 6261283
Chemical ID:
6261283
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2nc3ccc4c(c3s2)nc(s4)C
InChi [?]:
InChI=1/C17H13N3OS2/c1-9-3-5-11(6-4-9)16(21)20-17-19-12-7-8-13-14(15(12)23-17)18-10(2)22-13/h3-8H,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,3,7,4,6,14,15,2,21,5,13,16,17,18,8,11,20,12,10,9,22,19/E:(3,4)(5,6)/rA:23nCCCCCCCCONCNCCCCCCSNCSC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;d11;s12;s13;d14;s15;d16;d13s17;s11s18;s17;d20;s16s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13N3OS2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7191 |
Area: | 532.497 |
Solvation: | -2.59335 |
Coulombic: | -33.2418 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 339.437 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.11 |
LogP (Chemaxon): | 5.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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