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Chemical ID: 6283533
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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