Chemical ID: 6273527

CCOCCn1c2ccc(cc2sc1=NC(=O)COc3ccc(cc3Cl)Cl)OCC
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

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Descriptor Annotations

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