TL;DR: (E)-2-(benzo[d]oxazol-2-ylthio)-N'-(2,4,5-trimethoxybenzylidene)acetohydrazide (CAS 325805-63-8) is a chemical compound with molecular formula C19H19N3O5S and molecular weight 401.10455 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
Also Known As: (E)-2-(benzo[d]oxazol-2-ylthio)-N'-(2,4,5-trimethoxybenzylidene)acetohydrazide, 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(E)-(2,4,5-trimethoxyphenyl)methylidene]acetohydrazide, 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide, N-[(1E)-2-(2,4,5-trimethoxyphenyl)-1-azavinyl]-2-benzoxazol-2-ylthioacetamide
| Molecular Formula | C19H19N3O5S |
| Molecular Weight | 401.10455 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.10455 Da |
| Heavy Atoms | 28 |
| Complexity | 538.0 |
| SMILES | COC1=CC(=C(C=C1/C=N/NC(=O)CSC2=NC3=CC=CC=C3O2)OC)OC |
| InChIKey | VHTKRLQCTJXEQJ-KEBDBYFISA-N |
The XLogP value of 3.5 indicates that (E)-2-(benzo[d]oxazol-2-ylthio)-N'-(2,4,5-trimethoxybenzylidene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(benzo[d]oxazol-2-ylthio)-N'-(2,4,5-trimethoxybenzylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-(benzo[d]oxazol-2-ylthio)-N'-(2,4,5-trimethoxybenzylidene)acetohydrazide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-2-(benzo[d]oxazol-2-ylthio)-N'-(2,4,5-trimethoxybenzylidene)acetohydrazide is 325805-63-8.
The molecular formula of (E)-2-(benzo[d]oxazol-2-ylthio)-N'-(2,4,5-trimethoxybenzylidene)acetohydrazide is C19H19N3O5S.
The molecular weight of (E)-2-(benzo[d]oxazol-2-ylthio)-N'-(2,4,5-trimethoxybenzylidene)acetohydrazide is 401.10455 g/mol.
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