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Chemical ID: 6272326
Chemical ID:
6272326
Name [?]:
2-(4-chlorophenoxy)-N-[3-(2-ethoxyethyl)benzothiazol-2-ylidene]-acetamide
SMILES [?]:
CCOCCn1c2ccccc2sc1=NC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H19ClN2O3S/c1-2-24-12-11-22-16-5-3-4-6-17(16)26-19(22)21-18(23)13-25-15-9-7-14(20)8-10-15/h3-10H,2,11-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,10,8,11,22,24,21,25,5,4,18,23,20,7,12,16,14,26,15,6,17,3,19,13/E:(7,8)(9,10)/rA:26nCCOCCNCCCCCCSCNCOCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s6s13;w14;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19ClN2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.90429 |
Area: | 594.583 |
Solvation: | -4.96029 |
Coulombic: | -40.0078 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 390.885 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.39 |
LogP (Chemaxon): | 5.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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