ChemDB: Chemical Search
Download
Chemical ID: 6274168
Chemical ID:
6274168
Name [?]:
N-(3-allylbenzothiazol-2-ylidene)-2-phenoxy-benzamide
SMILES [?]:
C=CCn1c2ccccc2sc1=NC(=O)c3ccccc3Oc4ccccc4
InChi [?]:
InChI=1/C23H18N2O2S/c1-2-16-25-19-13-7-9-15-21(19)28-23(25)24-22(26)18-12-6-8-14-20(18)27-17-10-4-3-5-11-17/h2-15H,1,16H2
InChi Info:
AuxInfo=1/0/N:1,2,26,25,27,18,7,19,8,24,28,17,6,20,9,3,23,16,5,21,10,14,12,13,4,15,22,11/E:(4,5)(10,11)/rA:28nCCCNCCCCCCSCNCOCCCCCCOCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;w12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18N2O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1759 |
Area: | 568.214 |
Solvation: | -3.02944 |
Coulombic: | -35.7708 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 386.467 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.94 |
LogP (Chemaxon): | 6.79 |
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 |
---|