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Chemical ID: 5274633
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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Experimental Annotations
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Descriptor Annotations
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