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Chemical ID: 4301241
Chemical ID:
4301241
Name [?]:
N-[5-(p-tolylmethyl)thiazol-2-yl]benzamide
SMILES [?]:
Cc1ccc(cc1)Cc2cnc(s2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C18H16N2OS/c1-13-7-9-14(10-8-13)11-16-12-19-18(22-16)20-17(21)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,3,7,4,6,8,10,2,5,17,9,15,12,11,14,16,13/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCCCCCCCCCCNCSNCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2308 |
Area: | 523.648 |
Solvation: | -2.86038 |
Coulombic: | -28.8718 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 308.399 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.38 |
LogP (Chemaxon): | 4.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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