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Chemical ID: 6283758
Chemical ID:
6283758
Name [?]:
N-(6-bromo-3-ethyl-benzothiazol-2-ylidene)-4-fluoro-benzamide
SMILES [?]:
CCn1c2ccc(cc2sc1=NC(=O)c3ccc(cc3)F)Br
InChi [?]:
InChI=1/C16H12BrFN2OS/c1-2-20-13-8-5-11(17)9-14(13)22-16(20)19-15(21)10-3-6-12(18)7-4-10/h3-9H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,20,6,17,19,5,8,15,7,18,4,9,13,11,22,21,12,3,14,10/E:(3,4)(6,7)/rA:22nCCNCCCCCCSCNCOCCCCCCFBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12BrFN2OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.79451 |
Area: | 487.671 |
Solvation: | -2.39727 |
Coulombic: | -28.9554 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 379.248 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.23 |
LogP (Chemaxon): | 5.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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