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Chemical ID: 6261316
Chemical ID:
6261316
Name [?]:
None
SMILES [?]:
Cc1nc2c(s1)ccc3c2sc(n3)NC(=O)c4ccc5ccccc5c4
InChi [?]:
InChI=1/C20H13N3OS2/c1-11-21-17-16(25-11)9-8-15-18(17)26-20(22-15)23-19(24)14-7-6-12-4-2-3-5-13(12)10-14/h2-10H,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,22,23,21,24,19,18,8,7,26,2,20,25,17,9,5,4,10,15,12,3,13,14,16,6,11/rA:26nCCNCCSCCCCSCNNCOCCCCCCCCCC/rB:s1;d2;s3;s4;s2s5;d5;s7;d8;d4s9;s10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;s20;d21;s22;d23;d20s24;d17s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H13N3OS2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5559 |
Area: | 575.058 |
Solvation: | -2.82058 |
Coulombic: | -34.0244 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 375.469 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.94 |
LogP (Chemaxon): | 5.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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