TL;DR: 1-(5-(4-Morpholinyl)-4-phenyl-5-(phenylmethyl)-4,5-dihydro-1,3,4-selenadiazol-2-yl)ethanone (CAS 157588-05-1) is a chemical compound with molecular formula C21H23N3O2Se and molecular weight 429.09555 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(5-benzyl-5-morpholin-4-yl-4-phenyl-1,3,4-selenadiazol-2-yl)ethanone
Also Known As: 1-(5-(4-Morpholinyl)-4-phenyl-5-(phenylmethyl)-4,5-dihydro-1,3,4-selenadiazol-2-yl)ethanone, J1.243.782J, Ethanone, 1-(5-(4-morpholinyl)-4-phenyl-5-(phenylmethyl)-4,5-dihydro-1,3,4-selenadiazol-2-yl)-, 1-[5-Benzyl-5-(morpholin-4-yl)-4-phenyl-4,5-dihydro-1,3,4-selenadiazol-2-yl]ethan-1-one, 5-acetyl-2-morpholin-4-yl-3-phenyl-2-benzyl-1,3,4-selenadiazoline
| Molecular Formula | C21H23N3O2Se |
| Molecular Weight | 429.09555 g/mol |
| XLogP | 2.342 |
| Topological Polar Surface Area (TPSA) | 45.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.09555 Da |
| Heavy Atoms | 27 |
| Complexity | 552.0 |
| SMILES | CC(=O)C1=NN(C([Se]1)(CC2=CC=CC=C2)N3CCOCC3)C4=CC=CC=C4 |
| InChIKey | ZVEPHKKAZUZQID-UHFFFAOYSA-N |
The XLogP value of 2.342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-(4-Morpholinyl)-4-phenyl-5-(phenylmethyl)-4,5-dihydro-1,3,4-selenadiazol-2-yl)ethanone. With a topological polar surface area (TPSA) of 45.1 Ų, 1-(5-(4-Morpholinyl)-4-phenyl-5-(phenylmethyl)-4,5-dihydro-1,3,4-selenadiazol-2-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-(4-Morpholinyl)-4-phenyl-5-(phenylmethyl)-4,5-dihydro-1,3,4-selenadiazol-2-yl)ethanone has 0 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 1-(5-(4-Morpholinyl)-4-phenyl-5-(phenylmethyl)-4,5-dihydro-1,3,4-selenadiazol-2-yl)ethanone is 157588-05-1.
The molecular formula of 1-(5-(4-Morpholinyl)-4-phenyl-5-(phenylmethyl)-4,5-dihydro-1,3,4-selenadiazol-2-yl)ethanone is C21H23N3O2Se.
The molecular weight of 1-(5-(4-Morpholinyl)-4-phenyl-5-(phenylmethyl)-4,5-dihydro-1,3,4-selenadiazol-2-yl)ethanone is 429.09555 g/mol.
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