Chemical ID: 4834264

c1cc(cnc1)C=C2C(=O)NC(=Nc3ccc(cc3)Br)S2
Chemical ID:
4834264
Name [?]:
2-(4-bromophenyl)imino-5-(3-pyridylmethylene)thiazolidin-4-one
SMILES [?]:
c1cc(cnc1)C=C2C(=O)NC(=Nc3ccc(cc3)Br)S2
InChi [?]:
InChI=1/C15H10BrN3OS/c16-11-3-5-12(6-4-11)18-15-19-14(20)13(21-15)8-10-2-1-7-17-9-10/h1-9H,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,16,18,15,19,6,7,4,3,17,14,8,9,12,20,5,13,11,10,21/E:(3,4)(5,6)/rA:21nCCCCNCCCCONCNCCCCCCBrS/rB:s1;d2;s3;d4;d1s5;s3;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10BrN3OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.65993
Area:493.779
Solvation:-2.68454
Coulombic:-32.9244
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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