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Chemical ID: 6283922
Chemical ID:
6283922
Name [?]:
N-(3-ethyl-6-methyl-benzothiazol-2-ylidene)cyclohexanecarboxamide
SMILES [?]:
CCn1c2ccc(cc2sc1=NC(=O)C3CCCCC3)C
InChi [?]:
InChI=1/C17H22N2OS/c1-3-19-14-10-9-12(2)11-15(14)21-17(19)18-16(20)13-7-5-4-6-8-13/h9-11,13H,3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,18,17,19,16,20,6,5,8,7,15,4,9,13,11,12,3,14,10/E:(5,6)(7,8)/rA:21nCCNCCCCCCSCNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;d13;s13;s15;s16;s17;s18;s15s19;s7;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2OS |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3592 |
Area: | 473.482 |
Solvation: | -1.47781 |
Coulombic: | -24.4939 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 302.435 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.91 |
LogP (Chemaxon): | 5.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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