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Chemical ID: 6285246
Chemical ID:
6285246
Name [?]:
N-(4-chloro-3-ethyl-benzothiazol-2-ylidene)-2-phenoxy-acetamide
SMILES [?]:
CCn1c2c(cccc2Cl)sc1=NC(=O)COc3ccccc3
InChi [?]:
InChI=1/C17H15ClN2O2S/c1-2-20-16-13(18)9-6-10-14(16)23-17(20)19-15(21)11-22-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,21,20,22,7,19,23,8,6,16,18,9,5,14,4,12,10,13,3,15,17,11/E:(4,5)(7,8)/rA:23nCCNCCCCCCClSCNCOCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s5;s3s11;w12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15ClN2O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.48242 |
Area: | 511.413 |
Solvation: | -3.30291 |
Coulombic: | -32.9577 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 346.832 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.58 |
LogP (Chemaxon): | 5.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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