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Chemical ID: 6911979
Chemical ID:
6911979
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)NC(=O)CSc2nnc3n2c4ccccc4cc3
InChi [?]:
InChI=1/C19H16N4OS/c1-13-6-9-15(10-7-13)20-18(24)12-25-19-22-21-17-11-8-14-4-2-3-5-16(14)23(17)19/h2-11H,12H2,1H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,3,7,24,4,6,25,11,2,23,5,18,16,9,13,8,15,14,17,10,12/E:(6,7)(9,10)/rA:25nCCCCCCCNCOCSCNNCNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s17;s18;d19;s20;d21;d18s22;s23;s16d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N4OS |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8093 |
Area: | 546.871 |
Solvation: | -2.86251 |
Coulombic: | -33.5564 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 348.423 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.78 |
LogP (Chemaxon): | 4.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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