Chemical ID: 7259346

Cc1cccc(c1C)C(=O)Nc2nc3c(s2)CCCC3
Chemical ID:
7259346
Name [?]:
2,3-dimethyl-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)benzamide
SMILES [?]:
Cc1cccc(c1C)C(=O)Nc2nc3c(s2)CCCC3
InChi [?]:
InChI=1/C16H18N2OS/c1-10-6-5-7-12(11(10)2)15(19)18-16-17-13-8-3-4-9-14(13)20-16/h5-7H,3-4,8-9H2,1-2H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,8,19,18,4,3,5,20,17,2,7,6,14,15,9,12,13,11,10,16/rA:20nCCCCCCCCCONCNCCSCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;s18;s14s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18N2OS
All Atoms:38
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.5332
Area:470.922
Solvation:-2.23986
Coulombic:-27.5201
Bond Count [?]
All:22
Single:16
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:286.393
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.01
LogP (Chemaxon):4.06

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue