Chemical ID: 7041540

Cc1cc2c(c(oc2cc1C)C(=O)Nc3nnc(s3)C(C)C)C
Chemical ID:
7041540
Name [?]:
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-3,5,6-trimethyl-benzofuran-2-carboxamide
SMILES [?]:
Cc1cc2c(c(oc2cc1C)C(=O)Nc3nnc(s3)C(C)C)C
InChi [?]:
InChI=1/C17H19N3O2S/c1-8(2)16-19-20-17(23-16)18-15(21)14-11(5)12-6-9(3)10(4)7-13(12)22-14/h6-8H,1-5H3,(H,18,20,21)
InChi Info:
AuxInfo=1/1/N:21,22,1,11,23,3,9,20,2,10,5,4,8,6,12,18,15,14,17,16,13,7,19/E:(1,2)/rA:23nCCCCCCOCCCCCONCNNCSCCCC/rB:s1;s2;d3;s4;d5;s6;s4s7;d8;d2s9;s10;s6;d12;s12;s14;d15;s16;d17;s15s18;s18;s20;s20;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19N3O2S
All Atoms:42
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.2163
Area:542.954
Solvation:-2.35757
Coulombic:-35.5097
Bond Count [?]
All:25
Single:18
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:329.418
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.12
LogP (Chemaxon):4.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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