Chemical ID: 6285246

CCn1c2c(cccc2Cl)sc1=NC(=O)COc3ccccc3
Chemical ID:
6285246
Name [?]:
N-(4-chloro-3-ethyl-benzothiazol-2-ylidene)-2-phenoxy-acetamide
SMILES [?]:
CCn1c2c(cccc2Cl)sc1=NC(=O)COc3ccccc3
InChi [?]:
InChI=1/C17H15ClN2O2S/c1-2-20-16-13(18)9-6-10-14(16)23-17(20)19-15(21)11-22-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,21,20,22,7,19,23,8,6,16,18,9,5,14,4,12,10,13,3,15,17,11/E:(4,5)(7,8)/rA:23nCCNCCCCCCClSCNCOCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s5;s3s11;w12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15ClN2O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.48242
Area:511.413
Solvation:-3.30291
Coulombic:-32.9577
Bond Count [?]
All:25
Single:17
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:346.832
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.58
LogP (Chemaxon):5.26

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