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Chemical ID: 6588190
Chemical ID:
6588190
Name [?]:
N-(6-chlorobenzothiazol-2-yl)-2-[(4-fluorophenyl)methoxy]benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2nc3ccc(cc3s2)Cl)OCc4ccc(cc4)F
InChi [?]:
InChI=1/C21H14ClFN2O2S/c22-14-7-10-17-19(11-14)28-21(24-17)25-20(26)16-3-1-2-4-18(16)27-12-13-5-8-15(23)9-6-13/h1-11H,12H2,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,23,27,14,24,26,13,16,21,22,15,25,5,12,4,17,7,10,19,28,11,9,8,20,18/E:(5,6)(8,9)/rA:28nCCCCCCCONCNCCCCCCSClOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;s11;s12;d13;s14;d15;d12s16;s10s17;s15;s4;s20;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H14ClFN2O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.90573 |
Area: | 622.126 |
Solvation: | -5.64742 |
Coulombic: | -39.1818 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 412.865 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.31 |
LogP (Chemaxon): | 6.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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