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Chemical ID: 5742067
Chemical ID:
5742067
Name [?]:
2-(2-bromophenyl)imino-5-(3-pyridylmethylene)thiazol-4-ol
SMILES [?]:
c1ccc(c(c1)N=C2N=C(C(=Cc3cccnc3)S2)O)Br
InChi [?]:
InChI=1/C15H10BrN3OS/c16-11-5-1-2-6-12(11)18-15-19-14(20)13(21-15)8-10-4-3-7-17-9-10/h1-9H,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:2,1,15,14,3,6,16,12,18,13,4,5,11,10,8,21,17,7,9,20,19/rA:21nCCCCCCNCNCCCCCCCNCSOBr/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s10;w11;s12;s13;d14;s15;d16;d13s17;s8s11;s10;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10BrN3OS |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.98522 |
Area: | 492.326 |
Solvation: | -2.32293 |
Coulombic: | -35.7439 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 360.23 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.94 |
LogP (Chemaxon): | 4.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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