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Chemical ID: 6164546
Chemical ID:
6164546
Name [?]:
5-[(5-bromo-2-hydroxy-phenyl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2NC(=O)C(=Cc3cc(ccc3O)Br)S2
InChi [?]:
InChI=1/C16H11BrN2O2S/c17-11-6-7-13(20)10(8-11)9-14-15(21)19-16(22-14)18-12-4-2-1-3-5-12/h1-9,20H,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,17,18,15,13,14,16,4,19,12,10,8,21,7,9,20,11,22/E:(2,3)(4,5)/rA:22nCCCCCCNCNCOCCCCCCCCOBrS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s16;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11BrN2O2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2312 |
Area: | 508.929 |
Solvation: | -2.49201 |
Coulombic: | -45.7763 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 375.241 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.48 |
LogP (Chemaxon): | 4.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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