Chemical ID: 6283533

Cc1cccc2c1n(c(=NC(=O)C3CCCCC3)s2)C
Chemical ID:
6283533
Name [?]:
N-(3,4-dimethylbenzothiazol-2-ylidene)cyclohexanecarboxamide
SMILES [?]:
Cc1cccc2c1n(c(=NC(=O)C3CCCCC3)s2)C
InChi [?]:
InChI=1/C16H20N2OS/c1-11-7-6-10-13-14(11)18(2)16(20-13)17-15(19)12-8-4-3-5-9-12/h6-7,10,12H,3-5,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,16,15,17,4,3,14,18,5,2,13,6,7,11,9,10,8,12,19/E:(4,5)(8,9)/rA:20nCCCCCCCNCNCOCCCCCCSC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;w9;s10;d11;s11;s13;s14;s15;s16;s13s17;s6s9;s8;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.7484
Area:452.502
Solvation:-1.56415
Coulombic:-24.4074
Bond Count [?]
All:22
Single:17
Double:5
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:288.409
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.27
LogP (Chemaxon):5.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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