Chemical ID: 6284175

CCn1c2ccccc2sc1=NC(=O)COc3ccc(cc3)Cl
Chemical ID:
6284175
Name [?]:
2-(4-chlorophenoxy)-N-(3-ethylbenzothiazol-2-ylidene)-acetamide
SMILES [?]:
CCn1c2ccccc2sc1=NC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C17H15ClN2O2S/c1-2-20-14-5-3-4-6-15(14)23-17(20)19-16(21)11-22-13-9-7-12(18)8-10-13/h3-10H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,7,5,8,19,21,18,22,15,20,17,4,9,13,11,23,12,3,14,16,10/E:(7,8)(9,10)/rA:23nCCNCCCCCCSCNCOCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15ClN2O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.81318
Area:530.187
Solvation:-3.4415
Coulombic:-32.2964
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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