Chemical ID: 3961400

Cc1ccccc1c2nnc(s2)N(CC(C)C)C(=O)c3ccco3
Chemical ID:
3961400
Name [?]:
N-isobutyl-N-[5-(o-tolyl)-1,3,4-thiadiazol-2-yl]-furan-2-carboxamide
SMILES [?]:
Cc1ccccc1c2nnc(s2)N(CC(C)C)C(=O)c3ccco3
InChi [?]:
InChI=1/C18H19N3O2S/c1-12(2)11-21(17(22)15-9-6-10-23-15)18-20-19-16(24-18)14-8-5-4-7-13(14)3/h4-10,12H,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:16,17,1,4,5,22,3,6,21,23,14,15,2,7,20,8,18,11,9,10,13,19,24,12/E:(1,2)/rA:24nCCCCCCCCNNCSNCCCCCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;d10;s8s11;s11;s13;s14;s15;s15;s13;d18;s18;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19N3O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.2306
Area:527.889
Solvation:-1.96661
Coulombic:-33.746
Bond Count [?]
All:26
Single:18
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:341.428
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.54
LogP (Chemaxon):3.72

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Descriptor Annotations

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