Chemical ID: 6267259

CCn1c2c(cccc2sc1=NC(=O)COc3ccc(cc3)Cl)OCC
Chemical ID:
6267259
Name [?]:
2-(4-chlorophenoxy)-N-(4-ethoxy-3-ethyl-benzothiazol-2-ylidene)-acetamide
SMILES [?]:
CCn1c2c(cccc2sc1=NC(=O)COc3ccc(cc3)Cl)OCC
InChi [?]:
InChI=1/C19H19ClN2O3S/c1-3-22-18-15(24-4-2)6-5-7-16(18)26-19(22)21-17(23)12-25-14-10-8-13(20)9-11-14/h5-11H,3-4,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,25,7,6,8,19,21,18,22,15,20,17,5,9,13,4,11,23,12,3,14,24,16,10/E:(8,9)(10,11)/rA:26nCCNCCCCCCSCNCOCOCCCCCCClOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;s5;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19ClN2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.1168
Area:582.152
Solvation:-4.43698
Coulombic:-39.5479
Bond Count [?]
All:28
Single:20
Double:8
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:390.885
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.91
LogP (Chemaxon):5.35

Name Annotations

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Descriptor Annotations

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