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Chemical ID: 6216289
Chemical ID:
6216289
Name [?]:
N-(7-methylbenzothiazol-2-yl)-4-phenoxy-benzamide
SMILES [?]:
Cc1cccc2c1sc(n2)NC(=O)c3ccc(cc3)Oc4ccccc4
InChi [?]:
InChI=1/C21H16N2O2S/c1-14-6-5-9-18-19(14)26-21(22-18)23-20(24)15-10-12-17(13-11-15)25-16-7-3-2-4-8-16/h2-13H,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,4,3,22,26,5,15,19,16,18,2,14,21,17,6,7,12,9,10,11,13,20,8/E:(3,4)(7,8)(10,11)(12,13)/rA:26nCCCCCCCSCNNCOCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s6d9;s9;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16N2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8271 |
Area: | 568.231 |
Solvation: | -3.3787 |
Coulombic: | -37.0832 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 360.43 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.61 |
LogP (Chemaxon): | 6.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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