Chemical ID: 6274168

C=CCn1c2ccccc2sc1=NC(=O)c3ccccc3Oc4ccccc4
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

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