TL;DR: 5-acetyl-6-[2-(difluoromethoxy)phenyl]-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one (CAS 1005064-24-3) is a chemical compound with molecular formula C14H13F5N2O4 and molecular weight 368.07956 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-acetyl-6-[2-(difluoromethoxy)phenyl]-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
Also Known As: 5-acetyl-6-[2-(difluoromethoxy)phenyl]-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one, F1168-0197, 5-acetyl-6-(2-(difluoromethoxy)phenyl)-4-hydroxy-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one, 5-acetyl-6-[2-(difluoromethoxy)phenyl]-4-hydroxy-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
| Molecular Formula | C14H13F5N2O4 |
| Molecular Weight | 368.07956 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.07956 Da |
| Heavy Atoms | 25 |
| Complexity | 530.0 |
| SMILES | CC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC=CC=C2OC(F)F |
| InChIKey | DSGBODYJDMNJDK-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-acetyl-6-[2-(difluoromethoxy)phenyl]-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-acetyl-6-[2-(difluoromethoxy)phenyl]-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one. Following Lipinski's Rule of Five, 5-acetyl-6-[2-(difluoromethoxy)phenyl]-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-acetyl-6-[2-(difluoromethoxy)phenyl]-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one is 1005064-24-3.
The molecular formula of 5-acetyl-6-[2-(difluoromethoxy)phenyl]-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one is C14H13F5N2O4.
The molecular weight of 5-acetyl-6-[2-(difluoromethoxy)phenyl]-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one is 368.07956 g/mol.
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