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Chemical ID: 7140019
Chemical ID:
7140019
Name [?]:
2-(4-bromophenyl)imino-5-(p-tolylmethylene)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(cc3)Br)S2
InChi [?]:
InChI=1/C17H13BrN2OS/c1-11-2-4-12(5-3-11)10-15-16(21)20-17(22-15)19-14-8-6-13(18)7-9-14/h2-10H,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,17,19,16,20,8,2,5,18,15,9,10,13,21,14,12,11,22/E:(2,3)(4,5)(6,7)(8,9)/rA:22nCCCCCCCCCCONCNCCCCCCBrS/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13BrN2OS |
All Atoms: | 35 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1533 |
Area: | 517.757 |
Solvation: | -1.79064 |
Coulombic: | -30.3303 |
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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