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Chemical ID: 5736598
Chemical ID:
5736598
Name [?]:
2-(4-bromophenyl)imino-5-[(2,5-dimethoxyphenyl)methylene]thiazol-4-ol
SMILES [?]:
COc1ccc(c(c1)C=C2C(=NC(=Nc3ccc(cc3)Br)S2)O)OC
InChi [?]:
InChI=1/C18H15BrN2O3S/c1-23-14-7-8-15(24-2)11(9-14)10-16-17(22)21-18(25-16)20-13-5-3-12(19)4-6-13/h3-10H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,17,19,16,20,4,5,8,9,7,18,15,3,6,10,11,13,21,14,12,23,2,24,22/E:(3,4)(5,6)/rA:25nCOCCCCCCCCCNCNCCCCCCBrSOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s10s13;s11;s6;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15BrN2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0005 |
Area: | 569.031 |
Solvation: | -4.22525 |
Coulombic: | -45.2004 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 419.293 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.03 |
LogP (Chemaxon): | 5.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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