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Chemical ID: 6283414
Chemical ID:
6283414
Name [?]:
N-(4-chloro-3-methyl-benzothiazol-2-ylidene)-2-(4-chlorophenoxy)-acetamide
SMILES [?]:
Cn1c2c(cccc2Cl)sc1=NC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C16H12Cl2N2O2S/c1-20-15-12(18)3-2-4-13(15)23-16(20)19-14(21)9-22-11-7-5-10(17)6-8-11/h2-8H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,5,19,21,18,22,15,20,17,8,4,13,3,11,23,9,12,2,14,16,10/E:(5,6)(7,8)/rA:23nCNCCCCCCClSCNCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s4;s2s10;w11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12Cl2N2O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0978 |
Area: | 543.134 |
Solvation: | -3.48056 |
Coulombic: | -32.5519 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 367.25 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.78 |
LogP (Chemaxon): | 5.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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