Chemical ID: 7041539

CCCc1nnc(s1)NC(=O)c2c(c3cc(c(cc3o2)C)C)C
Chemical ID:
7041539
Name [?]:
3,5,6-trimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-benzofuran-2-carboxamide
SMILES [?]:
CCCc1nnc(s1)NC(=O)c2c(c3cc(c(cc3o2)C)C)C
InChi [?]:
InChI=1/C17H19N3O2S/c1-5-6-14-19-20-17(23-14)18-16(21)15-11(4)12-7-9(2)10(3)8-13(12)22-15/h7-8H,5-6H2,1-4H3,(H,18,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,21,23,2,3,15,18,16,17,13,14,19,4,12,10,7,9,5,6,11,20,8/rA:23nCCCCNNCSNCOCCCCCCCCOCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s9;d10;s10;d12;s13;s14;d15;s16;d17;d14s18;s12s19;s17;s16;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19N3O2S
All Atoms:42
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.3384
Area:547.78
Solvation:-2.35615
Coulombic:-35.3885
Bond Count [?]
All:25
Single:18
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:329.418
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.4
LogP (Chemaxon):4.08

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Descriptor Annotations

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