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Chemical ID: 6273527
Chemical ID:
6273527
Name [?]:
2-(2,4-dichlorophenoxy)-N-[6-ethoxy-3-(2-ethoxyethyl)benzothiazol-2-ylidene]-acetamide
SMILES [?]:
CCOCCn1c2ccc(cc2sc1=NC(=O)COc3ccc(cc3Cl)Cl)OCC
InChi [?]:
InChI=1/C21H22Cl2N2O4S/c1-3-27-10-9-25-17-7-6-15(28-4-2)12-19(17)30-21(25)24-20(26)13-29-18-8-5-14(22)11-16(18)23/h5-8,11-12H,3-4,9-10,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,2,29,22,9,8,21,5,4,24,11,18,23,10,25,7,20,12,16,14,27,26,15,6,17,3,28,19,13/rA:30nCCOCCNCCCCCCSCNCOCOCCCCCCClClOCC/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;s25;s23;s10;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22Cl2N2O4S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3162 |
Area: | 672.43 |
Solvation: | -6.49457 |
Coulombic: | -46.0123 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 469.382 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.35 |
LogP (Chemaxon): | 5.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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