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Chemical ID: 4834264
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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