Chemical ID: 4602316

COc1ccc2c(c1)sc(n2)NC(=O)c3cccc4c3cccc4
Chemical ID:
4602316
Name [?]:
N-(6-methoxybenzothiazol-2-yl)naphthalene-1-carboxamide
SMILES [?]:
COc1ccc2c(c1)sc(n2)NC(=O)c3cccc4c3cccc4
InChi [?]:
InChI=1/C19H14N2O2S/c1-23-13-9-10-16-17(11-13)24-19(20-16)21-18(22)15-8-4-6-12-5-2-3-7-14(12)15/h2-11H,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,22,17,24,18,21,16,4,5,8,19,3,20,15,6,7,13,10,11,12,14,2,9/rA:24nCOCCCCCCSCNNCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6d10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14N2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.52426
Area:527.705
Solvation:-3.66837
Coulombic:-36.0831
Bond Count [?]
All:27
Single:17
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:334.393
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.08
LogP (Chemaxon):4.89

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