Chemical ID: 6434840

CCCCCCc1nnc(s1)NC(=O)c2ccc(cc2)C
Chemical ID:
6434840
Name [?]:
N-(5-hexyl-1,3,4-thiadiazol-2-yl)-4-methyl-benzamide
SMILES [?]:
CCCCCCc1nnc(s1)NC(=O)c2ccc(cc2)C
InChi [?]:
InChI=1/C16H21N3OS/c1-3-4-5-6-7-14-18-19-16(21-14)17-15(20)13-10-8-12(2)9-11-13/h8-11H,3-7H2,1-2H3,(H,17,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,2,3,4,5,6,17,19,16,20,18,15,7,13,10,12,8,9,14,11/E:(8,9)(10,11)/rA:21nCCCCCCCNNCSNCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s7s10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H21N3OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:11.2323
Area:550.295
Solvation:-2.52505
Coulombic:-27.4134
Bond Count [?]
All:22
Single:16
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:303.424
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.47
LogP (Chemaxon):3.99

Name Annotations

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Descriptor Annotations

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