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Chemical ID: 6946995
Chemical ID:
6946995
Name [?]:
3-chloro-4-ethoxy-N-(6-methylbenzothiazol-2-yl)-benzamide
SMILES [?]:
CCOc1ccc(cc1Cl)C(=O)Nc2nc3ccc(cc3s2)C
InChi [?]:
InChI=1/C17H15ClN2O2S/c1-3-22-14-7-5-11(9-12(14)18)16(21)20-17-19-13-6-4-10(2)8-15(13)23-17/h4-9H,3H2,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,2,18,6,17,5,20,8,19,7,9,16,4,21,11,14,10,15,13,12,3,22/rA:23nCCOCCCCCCClCONCNCCCCCCSC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;d14;s15;s16;d17;s18;d19;d16s20;s14s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15ClN2O2S |
All Atoms: | 38 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1734 |
Area: | 554.884 |
Solvation: | -3.69869 |
Coulombic: | -35.3418 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 346.832 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.3 |
LogP (Chemaxon): | 5.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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