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Chemical ID: 6218931
Chemical ID:
6218931
Name [?]:
N-(6-fluorobenzothiazol-2-yl)-2-phenoxy-benzamide
SMILES [?]:
c1ccc(cc1)Oc2ccccc2C(=O)Nc3nc4ccc(cc4s3)F
InChi [?]:
InChI=1/C20H13FN2O2S/c21-13-10-11-16-18(12-13)26-20(22-16)23-19(24)15-8-4-5-9-17(15)25-14-6-2-1-3-7-14/h1-12H,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,10,3,5,12,9,21,20,23,22,4,13,19,8,24,14,17,26,18,16,15,7,25/E:(2,3)(6,7)/rA:26nCCCCCCOCCCCCCCONCNCCCCCCSF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;d17;s18;s19;d20;s21;d22;d19s23;s17s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H13FN2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.92421 |
Area: | 553.648 |
Solvation: | -4.91699 |
Coulombic: | -38.7495 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 364.394 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.54 |
LogP (Chemaxon): | 5.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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