Chemical ID: 4192742

CCCC(=O)Nc1nc2ccc(cc2s1)OC
Chemical ID:
4192742
Name [?]:
N-(6-methoxybenzothiazol-2-yl)butanamide
SMILES [?]:
CCCC(=O)Nc1nc2ccc(cc2s1)OC
InChi [?]:
InChI=1/C12H14N2O2S/c1-3-4-11(15)14-12-13-9-6-5-8(16-2)7-10(9)17-12/h5-7H,3-4H2,1-2H3,(H,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,17,2,3,11,10,13,12,9,14,4,7,8,6,5,16,15/rA:17nCCCCONCNCCCCCCSOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s12;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14N2O2S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.29045
Area:439.241
Solvation:-3.69056
Coulombic:-32.2833
Bond Count [?]
All:18
Single:13
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:250.318
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.92
LogP (Chemaxon):3.18

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