Chemical ID: 6277664

COC(=O)Cn1c2ccc(cc2sc1=NC(=O)c3ccccc3Cl)Cl
Chemical ID:
6277664
Name [?]:
methyl 2-[6-chloro-2-(2-chlorobenzoyl)imino-benzothiazol-3-yl]acetate
SMILES [?]:
COC(=O)Cn1c2ccc(cc2sc1=NC(=O)c3ccccc3Cl)Cl
InChi [?]:
InChI=1/C17H12Cl2N2O3S/c1-24-15(22)9-21-13-7-6-10(18)8-14(13)25-17(21)20-16(23)11-4-2-3-5-12(11)19/h2-8H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,21,19,22,9,8,11,5,10,18,23,7,12,3,16,14,25,24,15,6,4,17,2,13/rA:25nCOCOCNCCCCCCSCNCOCCCCCCClCl/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s12;s6s13;w14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12Cl2N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.9183
Area:537.264
Solvation:-3.5133
Coulombic:-43.2615
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:395.26
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.79
LogP (Chemaxon):5.23

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Descriptor Annotations

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