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Chemical ID: 4169593
Chemical ID:
4169593
Name [?]:
N-(6-chlorobenzothiazol-2-yl)-3-methoxy-benzamide
SMILES [?]:
COc1cccc(c1)C(=O)Nc2nc3ccc(cc3s2)Cl
InChi [?]:
InChI=1/C15H11ClN2O2S/c1-20-11-4-2-3-9(7-11)14(19)18-15-17-12-6-5-10(16)8-13(12)21-15/h2-8H,1H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,16,15,8,18,7,17,3,14,19,9,12,21,13,11,10,2,20/rA:21nCOCCCCCCCONCNCCCCCCSCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;d12;s13;s14;d15;s16;d17;d14s18;s12s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11ClN2O2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.90941 |
Area: | 510.882 |
Solvation: | -3.86264 |
Coulombic: | -34.8486 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 318.779 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.44 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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