Chemical ID: 6267261

CCn1c2c(cccc2sc1=NC(=O)COc3ccc(cc3Cl)Cl)OCC
Chemical ID:
6267261
Name [?]:
2-(2,4-dichlorophenoxy)-N-(4-ethoxy-3-ethyl-benzothiazol-2-ylidene)-acetamide
SMILES [?]:
CCn1c2c(cccc2sc1=NC(=O)COc3ccc(cc3Cl)Cl)OCC
InChi [?]:
InChI=1/C19H18Cl2N2O3S/c1-3-23-18-15(25-4-2)6-5-7-16(18)27-19(23)22-17(24)11-26-14-9-8-12(20)10-13(14)21/h5-10H,3-4,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,2,26,7,6,8,19,18,21,15,20,22,17,5,9,13,4,11,24,23,12,3,14,25,16,10/rA:27nCCNCCCCCCSCNCOCOCCCCCCClClOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s20;s5;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18Cl2N2O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.5665
Area:611.508
Solvation:-4.72119
Coulombic:-39.4074
Bond Count [?]
All:29
Single:21
Double:8
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:425.329
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.54
LogP (Chemaxon):5.86

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Descriptor Annotations

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