Chemical ID: 5274633

Cc1ccc(cc1)C(=O)N(C)c2nnc(s2)c3ccccc3
Chemical ID:
5274633
Name [?]:
N,4-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(C)c2nnc(s2)c3ccccc3
InChi [?]:
InChI=1/C17H15N3OS/c1-12-8-10-14(11-9-12)16(21)20(2)17-19-18-15(22-17)13-6-4-3-5-7-13/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,20,19,21,18,22,3,7,4,6,2,17,5,15,8,12,14,13,10,9,16/E:(4,5)(6,7)(8,9)(10,11)/rA:22nCCCCCCCCONCCNNCSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s10;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15N3OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.1842
Area:511.058
Solvation:-2.59225
Coulombic:-24.7262
Bond Count [?]
All:24
Single:15
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:309.387
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.76
LogP (Chemaxon):3.55

Name Annotations

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Descriptor Annotations

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