Chemical ID: 6271679

COCCn1c2ccc(cc2sc1=NC(=O)COc3ccc(cc3Cl)Cl)OC
Chemical ID:
6271679
Name [?]:
2-(2,4-dichlorophenoxy)-N-[6-methoxy-3-(2-methoxyethyl)benzothiazol-2-ylidene]-acetamide
SMILES [?]:
COCCn1c2ccc(cc2sc1=NC(=O)COc3ccc(cc3Cl)Cl)OC
InChi [?]:
InChI=1/C19H18Cl2N2O4S/c1-25-8-7-23-15-5-4-13(26-2)10-17(15)28-19(23)22-18(24)11-27-16-6-3-12(20)9-14(16)21/h3-6,9-10H,7-8,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,21,8,7,20,4,3,23,10,17,22,9,24,6,19,11,15,13,26,25,14,5,16,2,27,18,12/rA:28nCOCCNCCCCCCSCNCOCOCCCCCCClClOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s5s12;w13;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s24;s22;s9;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18Cl2N2O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.99195
Area:625.381
Solvation:-6.64259
Coulombic:-45.561
Bond Count [?]
All:30
Single:22
Double:8
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:441.329
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.5
LogP (Chemaxon):5.01

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Descriptor Annotations

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