Chemical ID: 6284657

Cn1c2ccc(cc2sc1=NC(=O)c3cc(cc(c3)Cl)Cl)C(=O)OC
Chemical ID:
6284657
Name [?]:
methyl 2-(3,5-dichlorobenzoyl)imino-3-methyl-benzothiazole-6-carboxylate
SMILES [?]:
Cn1c2ccc(cc2sc1=NC(=O)c3cc(cc(c3)Cl)Cl)C(=O)OC
InChi [?]:
InChI=1/C17H12Cl2N2O3S/c1-21-13-4-3-9(16(23)24-2)7-14(13)25-17(21)20-15(22)10-5-11(18)8-12(19)6-10/h3-8H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,5,4,15,19,7,17,6,14,16,18,3,8,12,22,10,21,20,11,2,13,23,24,9/E:(5,6)(11,12)(18,19)/rA:25nCNCCCCCCSCNCOCCCCCCClClCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s16;s6;d22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12Cl2N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.1138
Area:591.009
Solvation:-2.66142
Coulombic:-44.4728
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:395.26
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.03
LogP (Chemaxon):5.21

Name Annotations

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Descriptor Annotations

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