ChemDB: Chemical Search
Download
Chemical ID: 6945234
Chemical ID:
6945234
Name [?]:
N-(6-butylbenzothiazol-2-yl)benzofuran-2-carboxamide
SMILES [?]:
CCCCc1ccc2c(c1)sc(n2)NC(=O)c3cc4ccccc4o3
InChi [?]:
InChI=1/C20H18N2O2S/c1-2-3-6-13-9-10-15-18(11-13)25-20(21-15)22-19(23)17-12-14-7-4-5-8-16(14)24-17/h4-5,7-12H,2-3,6H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,3,21,22,4,20,23,6,7,10,18,5,19,8,24,17,9,15,12,13,14,16,25,11/rA:25nCCCCCCCCCCSCNNCOCCCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s8d12;s12;s14;d15;s15;d17;s18;s19;d20;s21;d22;d19s23;s17s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N2O2S |
All Atoms: | 43 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9976 |
Area: | 577.039 |
Solvation: | -2.42843 |
Coulombic: | -38.8495 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 350.435 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.0 |
LogP (Chemaxon): | 6.14 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|