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Chemical ID: 7724863
Chemical ID:
7724863
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)NC(=O)CSc2ccc3nnc(n3n2)c4cccs4
InChi [?]:
InChI=1/C19H17N5OS2/c1-2-13-5-7-14(8-6-13)20-17(25)12-27-18-10-9-16-21-22-19(24(16)23-18)15-4-3-11-26-15/h3-11H,2,12H2,1H3,(H,20,25)
InChi Info:
AuxInfo=1/1/N:1,2,25,24,4,8,5,7,16,15,26,12,3,6,23,17,10,14,20,9,18,19,22,21,11,27,13/E:(5,6)(7,8)/rA:27nCCCCCCCCNCOCSCCCCNNCNNCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;d19;s17s20;d14s21;s20;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17N5OS2 |
All Atoms: | 44 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.0948 |
Area: | 608.503 |
Solvation: | -3.11776 |
Coulombic: | -33.132 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.25 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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