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Chemical ID: 7724889
Chemical ID:
7724889
Name [?]:
None
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)CSc2ccc3nnc(n3n2)c4cccs4
InChi [?]:
InChI=1/C19H15N5O2S2/c1-12(25)13-4-6-14(7-5-13)20-17(26)11-28-18-9-8-16-21-22-19(24(16)23-18)15-3-2-10-27-15/h2-10H,11H2,1H3,(H,20,26)
InChi Info:
AuxInfo=1/1/N:1,26,25,5,9,6,8,17,16,27,13,2,4,7,24,18,11,15,21,10,19,20,23,22,3,12,28,14/E:(4,5)(6,7)/rA:28nCCOCCCCCCNCOCSCCCCNNCNNCCCCS/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;d20;s18s21;d15s22;s21;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15N5O2S2 |
All Atoms: | 43 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.2758 |
Area: | 618.087 |
Solvation: | -4.17643 |
Coulombic: | -39.4739 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.19 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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