Chemical ID: 6277153

Cc1ccc2c(c1)sc(=NC(=O)c3ccc(cc3Cl)Cl)n2CC(=O)OC
Chemical ID:
6277153
Name [?]:
methyl 2-[2-(2,4-dichlorobenzoyl)imino-6-methyl-benzothiazol-3-yl]acetate
SMILES [?]:
Cc1ccc2c(c1)sc(=NC(=O)c3ccc(cc3Cl)Cl)n2CC(=O)OC
InChi [?]:
InChI=1/C18H14Cl2N2O3S/c1-10-3-6-14-15(7-10)26-18(22(14)9-16(23)25-2)21-17(24)12-5-4-11(19)8-13(12)20/h3-8H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,3,15,14,4,7,17,22,2,16,13,18,5,6,23,11,9,20,19,10,21,24,12,25,8/rA:26nCCCCCCCSCNCOCCCCCCClClNCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s16;s5s9;s21;s22;d23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14Cl2N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.4909
Area:597.937
Solvation:-3.45752
Coulombic:-43.4356
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:409.287
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.23
LogP (Chemaxon):5.7

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