TL;DR: 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(1E)-1-(4-chlorophenyl)ethylidene]acetohydrazide (CAS 155595-00-9) is a chemical compound with molecular formula C17H14ClN3O2S and molecular weight 359.04953 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]acetamide
Also Known As: 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(1E)-1-(4-chlorophenyl)ethylidene]acetohydrazide, 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]acetamide, N-[(1Z)-2-(4-chlorophenyl)-1-azaprop-1-enyl]-2-benzoxazol-2-ylthioacetamide
| Molecular Formula | C17H14ClN3O2S |
| Molecular Weight | 359.04953 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 92.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.04953 Da |
| Heavy Atoms | 24 |
| Complexity | 469.0 |
| SMILES | C/C(=N/NC(=O)CSC1=NC2=CC=CC=C2O1)/C3=CC=C(C=C3)Cl |
| InChIKey | LISTWLRTQQWDLI-JAIQZWGSSA-N |
The XLogP value of 4.4 indicates that 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(1E)-1-(4-chlorophenyl)ethylidene]acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(1E)-1-(4-chlorophenyl)ethylidene]acetohydrazide. Following Lipinski's Rule of Five, 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(1E)-1-(4-chlorophenyl)ethylidene]acetohydrazide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(1E)-1-(4-chlorophenyl)ethylidene]acetohydrazide is 155595-00-9.
The molecular formula of 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(1E)-1-(4-chlorophenyl)ethylidene]acetohydrazide is C17H14ClN3O2S.
The molecular weight of 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(1E)-1-(4-chlorophenyl)ethylidene]acetohydrazide is 359.04953 g/mol.
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