ChemDB: Chemical Search
Download
Chemical ID: 6273457
Chemical ID:
6273457
Name [?]:
N-[3-(2-ethoxyethyl)-6-methoxy-benzothiazol-2-ylidene]-3-methoxy-naphthalene-2-carboxamide
SMILES [?]:
CCOCCn1c2ccc(cc2sc1=NC(=O)c3cc4ccccc4cc3OC)OC
InChi [?]:
InChI=1/C24H24N2O4S/c1-4-30-12-11-26-20-10-9-18(28-2)15-22(20)31-24(26)25-23(27)19-13-16-7-5-6-8-17(16)14-21(19)29-3/h5-10,13-15H,4,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,29,2,22,23,21,24,9,8,5,4,19,26,11,20,25,10,18,7,27,12,16,14,15,6,17,30,28,3,13/rA:31nCCOCCNCCCCCCSCNCOCCCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s6s13;w14;s15;d16;s16;s18;d19;s20;d21;s22;d23;s20s24;d25;d18s26;s27;s28;s10;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O4S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.60562 |
Area: | 624.3 |
Solvation: | -6.00189 |
Coulombic: | -46.3265 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 436.524 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.18 |
LogP (Chemaxon): | 5.3 |
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 |
---|