Chemical ID: 6281629

C=CCn1c2c(cccc2sc1=NC(=O)c3ccc(cc3)c4ccccc4)F
Chemical ID:
6281629
Name [?]:
N-(3-allyl-4-fluoro-benzothiazol-2-ylidene)-4-phenyl-benzamide
SMILES [?]:
C=CCn1c2c(cccc2sc1=NC(=O)c3ccc(cc3)c4ccccc4)F
InChi [?]:
InChI=1/C23H17FN2OS/c1-2-15-26-21-19(24)9-6-10-20(21)28-23(26)25-22(27)18-13-11-17(12-14-18)16-7-4-3-5-8-16/h2-14H,1,15H2
InChi Info:
AuxInfo=1/0/N:1,2,25,24,26,8,23,27,7,9,18,20,17,21,3,22,19,16,6,10,5,14,12,28,13,4,15,11/E:(4,5)(7,8)(11,12)(13,14)/rA:28nCCCNCCCCCCSCNCOCCCCCCCCCCCCF/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;w12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;d23;s24;d25;d22s26;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17FN2OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.8285
Area:571.411
Solvation:-2.45678
Coulombic:-33.5356
Bond Count [?]
All:31
Single:19
Double:12
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:388.458
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.56
LogP (Chemaxon):7.19

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