Chemical ID: 6283873

CCn1c2ccc(cc2sc1=NC(=O)c3ccccc3Oc4ccccc4)Br
Chemical ID:
6283873
Name [?]:
N-(6-bromo-3-ethyl-benzothiazol-2-ylidene)-2-phenoxy-benzamide
SMILES [?]:
CCn1c2ccc(cc2sc1=NC(=O)c3ccccc3Oc4ccccc4)Br
InChi [?]:
InChI=1/C22H17BrN2O2S/c1-2-25-18-13-12-15(23)14-20(18)28-22(25)24-21(26)17-10-6-7-11-19(17)27-16-8-4-3-5-9-16/h3-14H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,25,24,26,17,18,23,27,16,19,6,5,8,7,22,15,4,20,9,13,11,28,12,3,14,21,10/E:(4,5)(8,9)/rA:28nCCNCCCCCCSCNCOCCCCCCOCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s21;s22;d23;s24;d25;d22s26;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17BrN2O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.8053
Area:585.206
Solvation:-2.82484
Coulombic:-33.8908
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:453.353
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.55
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