X8U
2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-5-(4-phenylbutyl)-1,3-thiazole-4-carboxylic acid
Find entries where: X8U
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | 2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-5-(4-phenylbutyl)-1,3-thiazole-4-carboxylic acid |
Identifiers | 2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-5-(4-phenylbutyl)-1,3-thiazole-4-carboxylic acid |
Formula | C31 H28 N4 O2 S2 |
Molecular Weight | 552.71 |
Type | NON-POLYMER |
Isomeric SMILES | c1ccc(cc1)CCCCc2c(nc(s2)c3ccc4c(c3)/C(=N/Nc5nc6ccccc6s5)/CCC4)C(=O)O |
InChI | InChI=1S/C31H28N4O2S2/c36-30(37)28-27(16-6-4-11-20-9-2-1-3-10-20)38-29(33-28)22-18-17-21-12-8-14-24(23(21)19-22)34-35-31-32-25-13-5-7-15-26(25)39-31/h1-3,5,7,9-10,13,15,17-19H,4,6,8,11-12,14,16H2,(H,32,35)(H,36,37)/b34-24+ |
InChIKey | KJRCRYVHSPWAIC-JGRMKTMXSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 67 |
Chiral Atom Count | 0 |
Bond Count | 72 |
Aromatic Bond Count | 27 |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL3400497 |
PubChem | 71297203 |
ChEMBL | CHEMBL3400497 |