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Chemical ID: 6284175
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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