Chemical ID: 7519060

Cc1ccc2c(c(oc2c1)C(=O)Nc3nnc(s3)C)C
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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