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Chemical ID: 5532499
Chemical ID:
5532499
Name [?]:
4-benzyloxy-N-(4-phenylthiazol-2-yl)-benzamide
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)C(=O)Nc3nc(cs3)c4ccccc4
InChi [?]:
InChI=1/C23H18N2O2S/c26-22(25-23-24-21(16-28-23)18-9-5-2-6-10-18)19-11-13-20(14-12-19)27-15-17-7-3-1-4-8-17/h1-14,16H,15H2,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,26,2,6,25,27,3,5,24,28,11,13,10,14,7,21,4,23,12,9,20,15,18,19,17,16,8,22/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:28nCCCCCCCOCCCCCCCONCNCCSCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;d18;s19;d20;s18s21;s20;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18N2O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7277 |
Area: | 624.679 |
Solvation: | -3.88929 |
Coulombic: | -38.2883 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 386.467 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.45 |
LogP (Chemaxon): | 5.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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