Chemical ID: 5742067

c1ccc(c(c1)N=C2N=C(C(=Cc3cccnc3)S2)O)Br
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

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Descriptor Annotations

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