Chemical ID: 6283922

CCn1c2ccc(cc2sc1=NC(=O)C3CCCCC3)C
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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