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Chemical ID: 7141043
Chemical ID:
7141043
Name [?]:
5-[(3-bromophenyl)methylene]-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)N=C2NC(=O)C(=Cc3cccc(c3)Br)S2
InChi [?]:
InChI=1/C17H13BrN2OS/c1-11-5-7-14(8-6-11)19-17-20-16(21)15(22-17)10-12-3-2-4-13(18)9-12/h2-10H,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,3,7,4,6,20,14,2,15,19,5,13,11,9,21,8,10,12,22/E:(5,6)(7,8)/rA:22nCCCCCCCNCNCOCCCCCCCCBrS/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13BrN2OS |
All Atoms: | 35 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0967 |
Area: | 516.275 |
Solvation: | -1.81018 |
Coulombic: | -30.4347 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 373.268 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.33 |
LogP (Chemaxon): | 5.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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