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Chemical ID: 7519060
Chemical ID:
7519060
Name [?]:
3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-benzofuran-2-carboxamide
SMILES [?]:
Cc1ccc2c(c(oc2c1)C(=O)Nc3nnc(s3)C)C
InChi [?]:
InChI=1/C14H13N3O2S/c1-7-4-5-10-8(2)12(19-11(10)6-7)13(18)15-14-17-16-9(3)20-14/h4-6H,1-3H3,(H,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,20,19,3,4,10,2,6,17,5,9,7,11,14,13,16,15,12,8,18/rA:20nCCCCCCCOCCCONCNNCSCC/rB:s1;s2;d3;s4;s5;d6;s7;d5s8;d2s9;s7;d11;s11;s13;d14;s15;d16;s14s17;s17;s6;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13N3O2S |
All Atoms: | 33 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.44912 |
Area: | 476.151 |
Solvation: | -2.45466 |
Coulombic: | -34.7233 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.14 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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