TL;DR: 2H-1,2,4-Benzothiadiazin-3(4H)-one, 4-phenyl-, hydrazone, 1,1-dioxide (CAS 107089-81-6) is a chemical compound with molecular formula C13H12N4O2S and molecular weight 288.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1,1-dioxo-4-phenyl-1λ6,2,4-benzothiadiazin-3-yl)hydrazine
Also Known As: (1,1-dioxo-4-phenyl-1, 2H-1,2,4-Benzothiadiazin-3(4H)-one, 4-phenyl-, hydrazone, 1,1-dioxide, 4-Phenyl-2H-1,2,4-benzothiadiazin-3(4H)-one hydrazone 1,1-dioxide, 3-Hydrazinyl-4-phenyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione, BRN 5589371
| Molecular Formula | C13H12N4O2S |
| Molecular Weight | 288.06808 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 96.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.06808 Da |
| Heavy Atoms | 20 |
| Complexity | 479.0 |
| SMILES | C1=CC=C(C=C1)N2C3=CC=CC=C3S(=O)(=O)N=C2NN |
| InChIKey | SEYMLDDMBGJEKN-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,2,4-Benzothiadiazin-3(4H)-one, 4-phenyl-, hydrazone, 1,1-dioxide. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,2,4-Benzothiadiazin-3(4H)-one, 4-phenyl-, hydrazone, 1,1-dioxide. Following Lipinski's Rule of Five, 2H-1,2,4-Benzothiadiazin-3(4H)-one, 4-phenyl-, hydrazone, 1,1-dioxide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2H-1,2,4-Benzothiadiazin-3(4H)-one, 4-phenyl-, hydrazone, 1,1-dioxide is 107089-81-6.
The molecular formula of 2H-1,2,4-Benzothiadiazin-3(4H)-one, 4-phenyl-, hydrazone, 1,1-dioxide is C13H12N4O2S.
The molecular weight of 2H-1,2,4-Benzothiadiazin-3(4H)-one, 4-phenyl-, hydrazone, 1,1-dioxide is 288.06808 g/mol.
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