Chemical ID: 4838217

c1ccc(c(c1)N=C2NC(=O)C(=Cc3cccnc3)S2)Br
Chemical ID:
4838217
Name [?]:
2-(2-bromophenyl)imino-5-(3-pyridylmethylene)thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)N=C2NC(=O)C(=Cc3cccnc3)S2)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:2,1,16,15,3,6,17,13,19,14,4,5,12,10,8,21,18,7,9,11,20/rA:21nCCCCCCNCNCOCCCCCCNCSBr/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10BrN3OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.58123
Area:491.657
Solvation:-2.7102
Coulombic:-33.3059
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:2.64
LogP (Chemaxon):3.83

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